2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

C26H24ClN5O — CID 54019696

IUPAC2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCCN1CCc2c(n(-c3c(C)ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c34)c3ccccc23)C1
InChIInChI=1S/C26H24ClN5O/c1-3-30-13-12-20-19-6-4-5-7-22(19)31(23(20)15-30)25-16(2)28-14-21-24(25)29-32(26(21)33)18-10-8-17(27)9-11-18/h4-11,14,29H,3,12-13,15H2,1-2H3
InChIKeyZAVRIXNKTGKJHS-UHFFFAOYSA-N
MW457.97 g/mol
LogP5.00
Rot. Bonds3

About 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 54019696) has the molecular formula C26H24ClN5O and a molecular weight of 457.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID54019696
Molecular FormulaC26H24ClN5O
Molecular Weight457.97 g/mol
Exact Mass457.17
IUPAC Name2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCCN1CCc2c(n(-c3c(C)ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c34)c3ccccc23)C1
InChIInChI=1S/C26H24ClN5O/c1-3-30-13-12-20-19-6-4-5-7-22(19)31(23(20)15-30)25-16(2)28-14-21-24(25)29-32(26(21)33)18-10-8-17(27)9-11-18/h4-11,14,29H,3,12-13,15H2,1-2H3
InChIKeyZAVRIXNKTGKJHS-UHFFFAOYSA-N
XLogP5.00
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.97
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

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4-(4-Chlorophenyl)-14-methyl-3,4,8,13,14-pentazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,8,10,12,15-hexaen-5-one
CID 14809221
[2-[(2-Chloro-6-fluorophenyl)methyl]-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
CID 44158909
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576220
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298
1H-Indole-3-carboxamide, 5-chloro-N-[4-[5-methyl-4-(1-oxobutyl)-1H-pyrazol-1-yl]-1-piperidinyl]-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 73603967
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 74220534
N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
CID 2353710
N'-[(E)-(1-benzyl-1H-indol-3-yl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 6887696
8-chloro-2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 9996698
8-chloro-2-(2-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10246036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (CID 54019696) is 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is CCN1CCc2c(n(-c3c(C)ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c34)c3ccccc23)C1.
What is the InChIKey of 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is ZAVRIXNKTGKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O/c1-3-30-13-12-20-19-6-4-5-7-22(19)31(23(20)15-30)25-16(2)28-14-21-24(25)29-32(26(21)33)18-10-8-17(27)9-11-18/h4-11,14,29H,3,12-13,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 457.97 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(2-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 54019696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).