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

C26H23N5O2 — CID 155559182

IUPAC3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3-c3ccccc3)[C@@H]2c2cccnc2)c1
InChIInChI=1S/C26H23N5O2/c1-16-8-6-9-18(14-16)25(32)28-23-22(19-10-7-13-27-15-19)21-17(2)30-31(24(21)29-26(23)33)20-11-4-3-5-12-20/h3-15,22-23H,1-2H3,(H,28,32)(H,29,33)/t22-,23-/m0/s1
InChIKeyRFDDHROSHMFVOD-GOTSBHOMSA-N
MW437.50 g/mol
LogP3.77
Rot. Bonds4

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

3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 155559182) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID155559182
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3-c3ccccc3)[C@@H]2c2cccnc2)c1
InChIInChI=1S/C26H23N5O2/c1-16-8-6-9-18(14-16)25(32)28-23-22(19-10-7-13-27-15-19)21-17(2)30-31(24(21)29-26(23)33)20-11-4-3-5-12-20/h3-15,22-23H,1-2H3,(H,28,32)(H,29,33)/t22-,23-/m0/s1
InChIKeyRFDDHROSHMFVOD-GOTSBHOMSA-N
XLogP3.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[(4R,5S)-4-(3-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 135558049
3-methyl-N-[(4S,5R)-3-methyl-6-oxo-1-phenyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 164940398
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-[(4S,5R)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827078
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-[(4S,5S)-1,4-bis(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 167242094
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-[(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-[(4R,5S)-1,3-dimethyl-6-oxo-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 135558219
N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene
CID 155747072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 155559182) is 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3-c3ccccc3)[C@@H]2c2cccnc2)c1.
What is the InChIKey of 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is RFDDHROSHMFVOD-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-8-6-9-18(14-16)25(32)28-23-22(19-10-7-13-27-15-19)21-17(2)30-31(24(21)29-26(23)33)20-11-4-3-5-12-20/h3-15,22-23H,1-2H3,(H,28,32)(H,29,33)/t22-,23-/m0/s1.
What are the key properties of 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 155559182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).