2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide

C26H24ClN5O4 — CID 58378119

IUPAC2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1nc2c(cc1C(=O)N1CCc3c(cnn3-c3ccccc3Cl)C1)C(C(=O)C(=O)N(C)C)=CC2
InChIInChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)16-8-9-20-17(16)12-18(24(29-20)36-3)25(34)31-11-10-21-15(14-31)13-28-32(21)22-7-5-4-6-19(22)27/h4-8,12-13H,9-11,14H2,1-3H3
InChIKeyJENZTAOGFCUILT-UHFFFAOYSA-N
MW505.96 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide

2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 58378119) has the molecular formula C26H24ClN5O4 and a molecular weight of 505.96 g/mol. Its IUPAC name is 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID58378119
Molecular FormulaC26H24ClN5O4
Molecular Weight505.96 g/mol
Exact Mass505.15
IUPAC Name2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1nc2c(cc1C(=O)N1CCc3c(cnn3-c3ccccc3Cl)C1)C(C(=O)C(=O)N(C)C)=CC2
InChIInChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)16-8-9-20-17(16)12-18(24(29-20)36-3)25(34)31-11-10-21-15(14-31)13-28-32(21)22-7-5-4-6-19(22)27/h4-8,12-13H,9-11,14H2,1-3H3
InChIKeyJENZTAOGFCUILT-UHFFFAOYSA-N
XLogP2.72
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.96
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

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Related Compounds

2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772445
N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
CID 24772447
2-Isopropyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
CID 24772448
2-Acetyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
CID 59227406
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(2-methoxypyridin-3-yl)-1-methyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one
CID 86343922
(R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-(2-methoxypyridin-3-yl)-1-methyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one
CID 86343924
5-[(6-Chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 72143449
{5-[1-(2-Methoxybenzoyl)-4-piperidyl]pyrazolo[1,5-a]pyridin-3-yl}(1-pyrrolidinyl)methanone
CID 50848433
(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
CID 164640271
2-(3-Chloropyridin-4-yl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
CID 58013976
2-(3-Chloropyridin-4-yl)-1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]ethanone
CID 58014042

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide (CID 58378119) is 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide is COc1nc2c(cc1C(=O)N1CCc3c(cnn3-c3ccccc3Cl)C1)C(C(=O)C(=O)N(C)C)=CC2.
What is the InChIKey of 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is JENZTAOGFCUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O4/c1-30(2)26(35)23(33)16-8-9-20-17(16)12-18(24(29-20)36-3)25(34)31-11-10-21-15(14-31)13-28-32(21)22-7-5-4-6-19(22)27/h4-8,12-13H,9-11,14H2,1-3H3.
What are the key properties of 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 505.96 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 58378119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).