N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide

C24H23ClN4O2 — CID 142699440

IUPACN-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide
SMILESCCCCc1cc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H23ClN4O2/c1-2-3-9-19-15-20-22(17-10-12-18(25)13-11-17)26-27-23(20)24(31)29(19)28-21(30)14-16-7-5-4-6-8-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,26,27)(H,28,30)
InChIKeyCHRIAXLHJCLGKU-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.70
Rot. Bonds7

About N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide

N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide (PubChem CID 142699440) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide
PubChem CID142699440
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide
SMILESCCCCc1cc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H23ClN4O2/c1-2-3-9-19-15-20-22(17-10-12-18(25)13-11-17)26-27-23(20)24(31)29(19)28-21(30)14-16-7-5-4-6-8-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,26,27)(H,28,30)
InChIKeyCHRIAXLHJCLGKU-UHFFFAOYSA-N
XLogP4.70
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide?
The IUPAC name of N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide (CID 142699440) is N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide is CCCCc1cc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide?
The InChIKey is CHRIAXLHJCLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-2-3-9-19-15-20-22(17-10-12-18(25)13-11-17)26-27-23(20)24(31)29(19)28-21(30)14-16-7-5-4-6-8-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,26,27)(H,28,30).
What are the key properties of N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide?
N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide has a molecular weight of 434.93 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide is sourced from PubChem (CID 142699440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).