1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile

C19H13ClN4O2 — CID 24812051

IUPAC1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
SMILESCOc1ccc2c(c1)c1c(cc(C#N)c(=O)n1-c1ccc(Cl)nc1)n2C
InChIInChI=1S/C19H13ClN4O2/c1-23-15-5-4-13(26-2)8-14(15)18-16(23)7-11(9-21)19(25)24(18)12-3-6-17(20)22-10-12/h3-8,10H,1-2H3
InChIKeyULRPJNIRJUROGW-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.41
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile

1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile (PubChem CID 24812051) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
PubChem CID24812051
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
SMILESCOc1ccc2c(c1)c1c(cc(C#N)c(=O)n1-c1ccc(Cl)nc1)n2C
InChIInChI=1S/C19H13ClN4O2/c1-23-15-5-4-13(26-2)8-14(15)18-16(23)7-11(9-21)19(25)24(18)12-3-6-17(20)22-10-12/h3-8,10H,1-2H3
InChIKeyULRPJNIRJUROGW-UHFFFAOYSA-N
XLogP3.41
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile 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

1-(6-ethylsulfinyl-3-pyridinyl)-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 143136079
5-methyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 755493
2-chloro-5-methoxy-1-methylindole-3-carbonitrile
CID 82268864
11-(6-chloro-3-pyridinyl)-2-methoxy-5-methyl-8-oxo-10,11-dihydro-9H-cycloocta[b]indole-7-carbonitrile
CID 163629094
1-[4-[(1E)-1-hydroxybuta-1,3-dien-2-yl]phenyl]-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 142897864
1-(6-chloro-3-pyridinyl)-2-oxo-3H-benzimidazole-5-carbonitrile
CID 171100950
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
ethyl 4-(3-cyano-5-methoxyindol-1-yl)benzoate
CID 145493874
3-chloro-2-(4-methoxyphenyl)-1-methylindole-5,6-dicarbonitrile
CID 118727528

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile (CID 24812051) is 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile is COc1ccc2c(c1)c1c(cc(C#N)c(=O)n1-c1ccc(Cl)nc1)n2C.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
The InChIKey is ULRPJNIRJUROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c1-23-15-5-4-13(26-2)8-14(15)18-16(23)7-11(9-21)19(25)24(18)12-3-6-17(20)22-10-12/h3-8,10H,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile?
1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile has a molecular weight of 364.79 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-8-methoxy-5-methyl-2-oxopyrido[3,2-b]indole-3-carbonitrile is sourced from PubChem (CID 24812051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).