N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
Basic information
- CAS
144674-89-5- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(N=CN(C)C)ccc3[nH]2)CC1- InChIKey
MQLULHDHQQQZQU-UHFFFAOYSA-N- Molecular formula
- C24H31N7O
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.25900864
Names & identifiers
- Preferred name
- N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
- IUPAC
- N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
- English name
- Methanimidamide, N,N-dimethyl-N'-[2-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1H-indol-5-yl]-
- Molecular formula
- C24H31N7O
- Molecular weight
- 433.55
Names & synonyms
144674-89-5U 89674U-89674Piperazine, 1-((5-(((dimethylamino)methylene)amino)-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-Piperazine, 1-[[5-[[(dimethylamino)methylene]amino]-1H-indol-2-yl]carbonyl]-4-[3-[(1-methylethyl)amino]-2-pyridinyl]-N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamideorb1738853SCHEMBL14656962N'-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]-N,N-dimethyl-formamidineMethanimidamide, N,N-dimethyl-N'-[2-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1H-indol-5-yl]-
Database identifiers
- CAS
144674-89-5- PubChem CID
- 454922
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Boiling point
- 682.6 · 682.6±65.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 16.19 · 16.19±0.30(Predicted)
Chemistry & industry
Applications
DescriptionU 89674 is a non-nucleoside reverse transcriptase inhibitor used for the prevention of the spread of HIV-1 infection.
Related reactions
0 records
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Compound notes
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