7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

C11H12ClN3O — CID 115473848

IUPAC7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESO=C1CCN(C2CC2)c2nc(Cl)ccc2N1
InChIInChI=1S/C11H12ClN3O/c12-9-4-3-8-11(14-9)15(7-1-2-7)6-5-10(16)13-8/h3-4,7H,1-2,5-6H2,(H,13,16)
InChIKeyWTJKQCXESVPLSF-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.05
Rot. Bonds1

About 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 115473848) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
PubChem CID115473848
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESO=C1CCN(C2CC2)c2nc(Cl)ccc2N1
InChIInChI=1S/C11H12ClN3O/c12-9-4-3-8-11(14-9)15(7-1-2-7)6-5-10(16)13-8/h3-4,7H,1-2,5-6H2,(H,13,16)
InChIKeyWTJKQCXESVPLSF-UHFFFAOYSA-N
XLogP2.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 68686581
1-cyclopropyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
CID 79291644
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115554226
1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
CID 79776985
5-cyclopropyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 83008695
4-methyl-13-oxa-1,3,8-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81137688
(3R)-3-(azidomethyl)-4-(1-benzylpiperidin-4-yl)-6-chloro-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 129237808
6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473872
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004
1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115510067
8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
CID 79288414
2-chloro-9-phenyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58153911

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (CID 115473848) is 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is O=C1CCN(C2CC2)c2nc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is WTJKQCXESVPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-4-3-8-11(14-9)15(7-1-2-7)6-5-10(16)13-8/h3-4,7H,1-2,5-6H2,(H,13,16).
What are the key properties of 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 115473848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).