N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide

C36H27F7N10O2 — CID 159274524

IUPACN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F
InChIInChI=1S/C18H13F4N5O.C18H14F3N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22;19-18(20,21)15-9-14(11-1-2-11)26(25-15)16-4-3-13(10-23-16)24-17(27)12-5-7-22-8-6-12/h3-10H,1-2H2,(H,25,28);3-11H,1-2H2,(H,24,27)
InChIKeyKYDATRXBQGGEHK-UHFFFAOYSA-N
MW764.67 g/mol
LogP7.76
Rot. Bonds8

About N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 159274524) has the molecular formula C36H27F7N10O2 and a molecular weight of 764.67 g/mol. Its IUPAC name is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide
PubChem CID159274524
Molecular FormulaC36H27F7N10O2
Molecular Weight764.67 g/mol
Exact Mass764.22
IUPAC NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F
InChIInChI=1S/C18H13F4N5O.C18H14F3N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22;19-18(20,21)15-9-14(11-1-2-11)26(25-15)16-4-3-13(10-23-16)24-17(27)12-5-7-22-8-6-12/h3-10H,1-2H2,(H,25,28);3-11H,1-2H2,(H,24,27)
InChIKeyKYDATRXBQGGEHK-UHFFFAOYSA-N
XLogP7.76
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.67
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
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N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyrazin-2-yl)benzamide
CID 52946747
2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide
CID 67128132
2,6-difluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 75593328
N-(6-(1-(1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 76282562
N-(6-(5-(4-(2-Aminoacetyl)piperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 76684364
N-[6-[5-[4-(2-cyanoethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 76684365
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684452
2-Fluoro-N-(6-(2-(4-fluorophenyl)-7-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 90237749
2-fluoro-N-[6-[3-(4-fluorophenyl)-5-[1-(3-fluoropropyl)piperidin-4-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90240373
N-(6-(7-Acetyl-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 90240937
N-[6-[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 90241183

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide (CID 159274524) is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F.
What is the InChIKey of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is KYDATRXBQGGEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5O.C18H14F3N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22;19-18(20,21)15-9-14(11-1-2-11)26(25-15)16-4-3-13(10-23-16)24-17(27)12-5-7-22-8-6-12/h3-10H,1-2H2,(H,25,28);3-11H,1-2H2,(H,24,27).
What are the key properties of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide?
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 764.67 g/mol, XLogP of 7.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 159274524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).