Piperazine, 1-((5-amino-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
Basic information
- CAS
136817-55-5- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1- InChIKey
IYNANDLXMWZGBU-UHFFFAOYSA-N- Molecular formula
- C21H26N6O
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.21680947
Names & identifiers
- Preferred name
- Piperazine, 1-((5-amino-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
- IUPAC
- (5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
136817-55-5Piperazine, 1-((5-amino-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-Piperazine, 1-[(5-amino-1H-indol-2-yl)carbonyl]-4-[3-[(1-methylethyl)amino]-2-pyridinyl]-CHEMBL37518BDBM2295SCHEMBL8795012DTXSID70159958N-[5-Amino-2-indolcarbonyl]-N'-[3-(isopropylamino)-2-pyridinyl]piperazine(5-Amino-1H-indol-2-yl)(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone(5-amino-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-amine
Database identifiers
- CAS
136817-55-5- PubChem CID
- 453387
- DTXSID
DTXSID70159958- ChEMBL
CHEMBL37518- Nikkaji
- J911.735K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
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Compound notes
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