Basic information
- Standard SMILES
CCN1CC[C@@H](NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC3(CC3)C(=O)N4C)c(OC)c2)C1- InChIKey
AMEBIAHWXJVIRE-HXUWFJFHSA-N- Molecular formula
- C29H39N7O3
- Average molar mass
- 533.7 g/mol
Names & identifiers
- Preferred name
- 4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-[(3R)-1-ethylpyrrolidin-3-yl]-3-methoxy-benzamide
- IUPAC
- 4-[(9-cyclopentyl-5-methyl-6-oxospiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]-N-[(3R)-1-ethylpyrrolidin-3-yl]-3-methoxybenzamide
Names & synonyms
SCHEMBL3542113AMEBIAHWXJVIRE-HXUWFJFHSA-N4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-[(3R)-1-ethylpyrrolidin-3-yl]-3-methoxy-benzamide
Database identifiers
- PubChem CID
- 68683090
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 894
Related reactions
1 records
Compound notes
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