N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide

C28H26N4O4 — CID 135926738

IUPACN-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCOc1cc(OC)cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H26N4O4/c1-17-23-24(19-14-21(35-2)16-22(15-19)36-3)25(29-27(33)18-10-6-4-7-11-18)28(34)30-26(23)32(31-17)20-12-8-5-9-13-20/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m1/s1
InChIKeyMJOYWRJBBDLPJQ-JWQCQUIFSA-N
MW482.54 g/mol
LogP4.08
Rot. Bonds6

About N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide

N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 135926738) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID135926738
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCOc1cc(OC)cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1
InChIInChI=1S/C28H26N4O4/c1-17-23-24(19-14-21(35-2)16-22(15-19)36-3)25(29-27(33)18-10-6-4-7-11-18)28(34)30-26(23)32(31-17)20-12-8-5-9-13-20/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m1/s1
InChIKeyMJOYWRJBBDLPJQ-JWQCQUIFSA-N
XLogP4.08
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S,5R)-4-(3-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827082
N-[(4S,5R)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827078
N-[(4S,5S)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926723
N-[(4R,5R)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827079
N-[4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135750287
N-[(4R,5R)-3-methyl-1-(4-methylphenyl)-6-oxo-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926740
N-[(4R,5S)-4-(4-ethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926730
N-[(4R,5S)-4-(3-methoxyphenyl)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135837059
3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 155541465
N-[(4S,5S)-4-(2-methoxy-5-methylphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827091
3-methyl-N-[(4R,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135558048
N-[4-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 167975398

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 135926738) is N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is COc1cc(OC)cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is MJOYWRJBBDLPJQ-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-17-23-24(19-14-21(35-2)16-22(15-19)36-3)25(29-27(33)18-10-6-4-7-11-18)28(34)30-26(23)32(31-17)20-12-8-5-9-13-20/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m1/s1.
What are the key properties of N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 135926738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).