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

C19H15F6N5OS — CID 177051543

IUPAC2-methyl-4-(trifluoromethyl)-N-[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)c(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)s1
InChIInChI=1S/C19H15F6N5OS/c1-9-27-16(19(23,24)25)15(32-9)17(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)
InChIKeyKQSYOUZIDPVEGG-UHFFFAOYSA-N
MW475.42 g/mol
LogP5.01
Rot. Bonds3

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

2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 177051543) has the molecular formula C19H15F6N5OS and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID177051543
Molecular FormulaC19H15F6N5OS
Molecular Weight475.42 g/mol
Exact Mass475.09
IUPAC Name2-methyl-4-(trifluoromethyl)-N-[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)c(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)s1
InChIInChI=1S/C19H15F6N5OS/c1-9-27-16(19(23,24)25)15(32-9)17(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)
InChIKeyKQSYOUZIDPVEGG-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-N-[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 2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (CID 177051543) is 2-methyl-4-(trifluoromethyl)-N-[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 2-methyl-4-(trifluoromethyl)-N-[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 2-methyl-4-(trifluoromethyl)-N-[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)c(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KQSYOUZIDPVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5OS/c1-9-27-16(19(23,24)25)15(32-9)17(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).
What are the key properties of 2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?
2-methyl-4-(trifluoromethyl)-N-[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 2-methyl-4-(trifluoromethyl)-N-[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 177051543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).