N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C26H24N4O4 — CID 92522852

IUPACN-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1
InChIInChI=1S/C26H24N4O4/c1-17(31)18-9-11-19(12-10-18)27-25(32)22-15-29(14-21-8-5-13-34-21)16-23-24(22)28-30(26(23)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyMBCKOQSYTSFVAY-NRFANRHFSA-N
MW456.50 g/mol
LogP3.77
Rot. Bonds6

About N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 92522852) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID92522852
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1
InChIInChI=1S/C26H24N4O4/c1-17(31)18-9-11-19(12-10-18)27-25(32)22-15-29(14-21-8-5-13-34-21)16-23-24(22)28-30(26(23)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,27,32)/t21-/m0/s1
InChIKeyMBCKOQSYTSFVAY-NRFANRHFSA-N
XLogP3.77
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570591
7-(2,3-dihydroindole-1-carbonyl)-5-[[(2R)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridin-3-one
CID 92530657
5-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-7-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazolo[4,3-c]pyridin-3-one
CID 92530654
N-(3-acetylphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 44827298
N-(4-methoxyphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 16801788
N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485966
N-(2-carbamoylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485978
5-ethyl-N-(2-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570321
5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570534
N-(4-acetylphenyl)-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2398116
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303
5-benzyl-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570540

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 92522852) is N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is MBCKOQSYTSFVAY-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-17(31)18-9-11-19(12-10-18)27-25(32)22-15-29(14-21-8-5-13-34-21)16-23-24(22)28-30(26(23)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,27,32)/t21-/m0/s1.
What are the key properties of N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 92522852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).