Delavuridine
Basic information
- CAS
136816-76-7- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1- InChIKey
ASOMNDIOOKDVDC-UHFFFAOYSA-N- Molecular formula
- C21H25N5O
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.20591044
Overview
structure given in first source
Names & identifiers
- Preferred name
- Delavuridine
- IUPAC
- 1H-indol-2-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
- English name
- U 88204
- Molecular formula
- C21H25N5O
- Molecular weight
- 363.4561
Names & synonyms
136816-76-7U 88204U-88204U-88204EDTXSID00159941Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-DelavuridineRefChem:919814DTXCID6082432Methanone, 1H-indol-2-yl[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]-148692-46-0BDBM2291
Show more names
CHEMBL289969orb1738629SCHEMBL144400081-(3-(1-Isopropylamino)-2-pyridinyl)-4-((1-H-indol-2-yl)carbonyl)piperazine1-(Indolyl-2-carbonyl)-4-[3-[(1-methylethyl)amino]pyridyl]piperazine1H-indol-2-yl-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone(1H-Indol-2-yl)(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]-N-(propan-2-yl)pyridin-3-amine
Database identifiers
- CAS
136816-76-7- PubChem CID
- 72346
- DTXSID
DTXSID00159941- ChEMBL
CHEMBL289969- Nikkaji
- J942.932H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Applications
DescriptionU 88204 is a non-nucleoside HIV-1 reverse transcriptase inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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