4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide

C19H15F6N5OS — CID 177051676

IUPAC4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H15F6N5OS/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1
InChIKeyZOVVIXVBWQGQIK-NSHDSACASA-N
MW475.42 g/mol
LogP5.01
Rot. Bonds3

About 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 177051676) has the molecular formula C19H15F6N5OS and a molecular weight of 475.42 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID177051676
Molecular FormulaC19H15F6N5OS
Molecular Weight475.42 g/mol
Exact Mass475.09
IUPAC Name4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H15F6N5OS/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1
InChIKeyZOVVIXVBWQGQIK-NSHDSACASA-N
XLogP5.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
(4-Methyl-1,3-thiazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56668893
2-(2-(3-(Trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 52948597
US9617282, Example 95
CID 118641364
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
5-amino-N-(5-((4R,5R)-4-amino-5-fluorocycloheptyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 74983213
5-amino-N-[5-(3,3-difluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983218
5-amino-N-[5-[(4R,5S)-4-amino-5-fluorocycloheptyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983223
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-4-fluorocyclohexyl]-2-methylpyrazolo[1,5-a]pyridine-4-carboxamide
CID 156058343
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156058462
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
5-amino-3,4-dimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137646732

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (CID 177051676) is 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZOVVIXVBWQGQIK-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F6N5OS/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1.
What are the key properties of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 177051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).