7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one

C17H14ClN5O — CID 90694727

IUPAC7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one
SMILESO=C1NCC=C(NNc2cccnc2)c2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H14ClN5O/c18-10-3-4-13-12(8-10)15-14(5-7-20-17(24)16(15)21-13)23-22-11-2-1-6-19-9-11/h1-6,8-9,21-23H,7H2,(H,20,24)
InChIKeyBHNIAXDNRYRQBH-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.92
Rot. Bonds3

About 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one

7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one (PubChem CID 90694727) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one.

Molecular Properties

Compound Name7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one
PubChem CID90694727
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one
SMILESO=C1NCC=C(NNc2cccnc2)c2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H14ClN5O/c18-10-3-4-13-12(8-10)15-14(5-7-20-17(24)16(15)21-13)23-22-11-2-1-6-19-9-11/h1-6,8-9,21-23H,7H2,(H,20,24)
InChIKeyBHNIAXDNRYRQBH-UHFFFAOYSA-N
XLogP2.92
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-5-[2-(5-nitro-2-pyridinyl)hydrazinyl]-3,10-dihydro-2H-azepino[3,4-b]indol-1-one
CID 90715970
5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile
CID 58215807
(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
CID 135873830
7-chloro-5-methyl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one;N-methylpyridin-4-amine
CID 142965887
N-(5-chloro-2-methylphenyl)pyridin-3-amine
CID 82536338
7-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136607368
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
4-chloro-2-(pyridin-3-ylamino)phenol
CID 102179670
1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine
CID 159389333
5-[(5-chloro-2-pyridinyl)hydrazinylidene]-7-fluoro-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136644792
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
CID 75511238
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 17038149

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one?
The IUPAC name of 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one (CID 90694727) is 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one.
What is the SMILES notation for 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one?
The canonical SMILES for 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one is O=C1NCC=C(NNc2cccnc2)c2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one?
The InChIKey is BHNIAXDNRYRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-10-3-4-13-12(8-10)15-14(5-7-20-17(24)16(15)21-13)23-22-11-2-1-6-19-9-11/h1-6,8-9,21-23H,7H2,(H,20,24).
What are the key properties of 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one?
7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one has a molecular weight of 339.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one is sourced from PubChem (CID 90694727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).