6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

C36H28F8N10O2S — CID 162150719

IUPAC6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1.O=C(Nc1cccc(F)c1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C19H13F5N4O.C17H15F3N6OS/c20-12-2-1-3-13(17(12)21)26-18(29)11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24;1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h1-3,6-10H,4-5H2,(H,26,29);4-8,10H,2-3H2,1H3,(H2,23,24,27)
InChIKeyZLEAVFMTBAIDHN-UHFFFAOYSA-N
MW816.74 g/mol
LogP9.27
Rot. Bonds8

About 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea

6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (PubChem CID 162150719) has the molecular formula C36H28F8N10O2S and a molecular weight of 816.74 g/mol. Its IUPAC name is 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
PubChem CID162150719
Molecular FormulaC36H28F8N10O2S
Molecular Weight816.74 g/mol
Exact Mass816.20
IUPAC Name6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1.O=C(Nc1cccc(F)c1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C19H13F5N4O.C17H15F3N6OS/c20-12-2-1-3-13(17(12)21)26-18(29)11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24;1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h1-3,6-10H,4-5H2,(H,26,29);4-8,10H,2-3H2,1H3,(H2,23,24,27)
InChIKeyZLEAVFMTBAIDHN-UHFFFAOYSA-N
XLogP9.27
TPSA144.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.74
LogP ≤ 59.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinoxaline-6-carboxamide
CID 52913956
1-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 58243025
N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride
CID 67198960
(2E,4Z,6Z)-N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-6,7-difluoro-2-methylocta-2,4,6-trienamide
CID 134377448
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide
CID 67115337
2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 71812186
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide;N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 158945515
N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide
CID 156861316
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833

Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea (CID 162150719) is 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is Cc1ncsc1NC(=O)Nc1ccc(-n2nc(C3CC3)cc2C(F)(F)F)nc1.O=C(Nc1cccc(F)c1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
The InChIKey is ZLEAVFMTBAIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O.C17H15F3N6OS/c20-12-2-1-3-13(17(12)21)26-18(29)11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24;1-9-15(28-8-22-9)24-16(27)23-11-4-5-14(21-7-11)26-13(17(18,19)20)6-12(25-26)10-2-3-10/h1-3,6-10H,4-5H2,(H,26,29);4-8,10H,2-3H2,1H3,(H2,23,24,27).
What are the key properties of 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea?
6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea has a molecular weight of 816.74 g/mol, XLogP of 9.27, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[6-[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(4-methyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 162150719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).