N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene

C28H27FN4O2 — CID 155747072

IUPACN-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene
SMILESCc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3-c3ccccc3)C2C)c1.Fc1ccccc1
InChIInChI=1S/C22H22N4O2.C6H5F/c1-13-8-7-9-16(12-13)21(27)23-19-14(2)18-15(3)25-26(20(18)24-22(19)28)17-10-5-4-6-11-17;7-6-4-2-1-3-5-6/h4-12,14,19H,1-3H3,(H,23,27)(H,24,28);1-5H
InChIKeyHZJAWAVYSIEAMZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.17
Rot. Bonds3

About N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene

N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene (PubChem CID 155747072) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene.

Molecular Properties

Compound NameN-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene
PubChem CID155747072
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC NameN-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene
SMILESCc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3-c3ccccc3)C2C)c1.Fc1ccccc1
InChIInChI=1S/C22H22N4O2.C6H5F/c1-13-8-7-9-16(12-13)21(27)23-19-14(2)18-15(3)25-26(20(18)24-22(19)28)17-10-5-4-6-11-17;7-6-4-2-1-3-5-6/h4-12,14,19H,1-3H3,(H,23,27)(H,24,28);1-5H
InChIKeyHZJAWAVYSIEAMZ-UHFFFAOYSA-N
XLogP5.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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,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)-1,4-bis(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 167242094
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
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
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
3-fluoro-N-[(4S,5S)-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-5-methylbenzamide
CID 167242199
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)-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-[(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
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene?
The IUPAC name of N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene (CID 155747072) is N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene.
What is the SMILES notation for N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene?
The canonical SMILES for N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene is Cc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3-c3ccccc3)C2C)c1.Fc1ccccc1.
What is the InChIKey of N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene?
The InChIKey is HZJAWAVYSIEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C6H5F/c1-13-8-7-9-16(12-13)21(27)23-19-14(2)18-15(3)25-26(20(18)24-22(19)28)17-10-5-4-6-11-17;7-6-4-2-1-3-5-6/h4-12,14,19H,1-3H3,(H,23,27)(H,24,28);1-5H.
What are the key properties of N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene?
N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene has a molecular weight of 470.55 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl)-3-methylbenzamide;fluorobenzene is sourced from PubChem (CID 155747072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).