3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide

C25H17F2N7O2 — CID 129048826

IUPAC3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(CF)cc3F)n(-c3ccccc3)nc2c1
InChIInChI=1S/C25H17F2N7O2/c26-12-14-9-19(27)18(11-17(14)23-29-7-4-8-30-23)25(36)32-24-21-20(10-15(13-31-21)22(28)35)33-34(24)16-5-2-1-3-6-16/h1-11,13H,12H2,(H2,28,35)(H,32,36)
InChIKeyPRVDFLRQTGJQBD-UHFFFAOYSA-N
MW485.45 g/mol
LogP3.84
Rot. Bonds6

About 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 129048826) has the molecular formula C25H17F2N7O2 and a molecular weight of 485.45 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID129048826
Molecular FormulaC25H17F2N7O2
Molecular Weight485.45 g/mol
Exact Mass485.14
IUPAC Name3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(CF)cc3F)n(-c3ccccc3)nc2c1
InChIInChI=1S/C25H17F2N7O2/c26-12-14-9-19(27)18(11-17(14)23-29-7-4-8-30-23)25(36)32-24-21-20(10-15(13-31-21)22(28)35)33-34(24)16-5-2-1-3-6-16/h1-11,13H,12H2,(H2,28,35)(H,32,36)
InChIKeyPRVDFLRQTGJQBD-UHFFFAOYSA-N
XLogP3.84
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,2-difluoro-1-hydroxyethyl)-2-phenylindazol-3-yl]-2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzamide
CID 129048819
2-fluoro-N-(6-isocyano-2-phenylpyrazolo[4,3-b]pyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 140781660
2-fluoro-N-[5-(hydroxymethyl)-2-phenylpyrazolo[4,3-b]pyridin-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 129038078
2-fluoro-N-(5-oxo-2-phenyl-4H-pyrazolo[4,3-b]pyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 118408667
2-fluoro-N-[6-[(1R)-1-hydroxyethyl]-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 175735845
N-[6-[(dimethylamino)methyl]-2-phenylindazol-3-yl]-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 118408670
methyl 3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate
CID 118393774
tert-butyl-[[3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazol-6-yl]methyl]carbamic acid
CID 129021318
tert-butyl N-[[3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazol-6-yl]methyl]carbamate
CID 118408709
1-(3-amino-2-phenylpyrazolo[4,3-b]pyridin-6-yl)-2-hydroxyethanone
CID 129038052
2-[1-(4-fluorophenyl)-5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]pyrazol-3-yl]pyrimidine-4-carboxamide
CID 118408798
2-[4-fluoro-5-(hydroxymethyl)-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 144934421

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 129048826) is 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide is NC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(CF)cc3F)n(-c3ccccc3)nc2c1.
What is the InChIKey of 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is PRVDFLRQTGJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N7O2/c26-12-14-9-19(27)18(11-17(14)23-29-7-4-8-30-23)25(36)32-24-21-20(10-15(13-31-21)22(28)35)33-34(24)16-5-2-1-3-6-16/h1-11,13H,12H2,(H2,28,35)(H,32,36).
What are the key properties of 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 485.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(fluoromethyl)-5-pyrimidin-2-ylbenzoyl]amino]-2-phenylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 129048826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).