5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide

C26H20F3N5O3 — CID 58630250

IUPAC5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccccc2)CC3)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C26H20F3N5O3/c1-37-18-9-10-21(20(14-18)24(35)31-16-6-5-12-30-15-16)34-22-19(23(32-34)26(27,28)29)11-13-33(25(22)36)17-7-3-2-4-8-17/h2-10,12,14-15H,11,13H2,1H3,(H,31,35)
InChIKeyPBIAXOINKLTIAQ-UHFFFAOYSA-N
MW507.47 g/mol
LogP4.75
Rot. Bonds5

About 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide

5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide (PubChem CID 58630250) has the molecular formula C26H20F3N5O3 and a molecular weight of 507.47 g/mol. Its IUPAC name is 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide
PubChem CID58630250
Molecular FormulaC26H20F3N5O3
Molecular Weight507.47 g/mol
Exact Mass507.15
IUPAC Name5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccccc2)CC3)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C26H20F3N5O3/c1-37-18-9-10-21(20(14-18)24(35)31-16-6-5-12-30-15-16)34-22-19(23(32-34)26(27,28)29)11-13-33(25(22)36)17-7-3-2-4-8-17/h2-10,12,14-15H,11,13H2,1H3,(H,31,35)
InChIKeyPBIAXOINKLTIAQ-UHFFFAOYSA-N
XLogP4.75
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648157
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
3-cyano-5-methyl-N-(2-morpholinoethyl)-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 22473189
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
CID 57389318
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576377
1'-(6-Methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 70674464
2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188593
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188595
2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188598
5-ethyl-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188599

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide (CID 58630250) is 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccccc2)CC3)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide?
The InChIKey is PBIAXOINKLTIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3/c1-37-18-9-10-21(20(14-18)24(35)31-16-6-5-12-30-15-16)34-22-19(23(32-34)26(27,28)29)11-13-33(25(22)36)17-7-3-2-4-8-17/h2-10,12,14-15H,11,13H2,1H3,(H,31,35).
What are the key properties of 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide?
5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide has a molecular weight of 507.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[7-oxo-6-phenyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 58630250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).