1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C19H17F3N8OS — CID 90383203

IUPAC1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H17F3N8OS/c1-28-15(12(9-23-28)17-25-13(10-32-17)19(20,21)22)16(31)24-11-4-7-30-14(8-11)26-18(27-30)29-5-2-3-6-29/h4,7-10H,2-3,5-6H2,1H3,(H,24,31)
InChIKeyKJRRVPBIBOFUMT-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.46
Rot. Bonds4

About 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 90383203) has the molecular formula C19H17F3N8OS and a molecular weight of 462.46 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID90383203
Molecular FormulaC19H17F3N8OS
Molecular Weight462.46 g/mol
Exact Mass462.12
IUPAC Name1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H17F3N8OS/c1-28-15(12(9-23-28)17-25-13(10-32-17)19(20,21)22)16(31)24-11-4-7-30-14(8-11)26-18(27-30)29-5-2-3-6-29/h4,7-10H,2-3,5-6H2,1H3,(H,24,31)
InChIKeyKJRRVPBIBOFUMT-UHFFFAOYSA-N
XLogP3.46
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 90383203) is 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is KJRRVPBIBOFUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8OS/c1-28-15(12(9-23-28)17-25-13(10-32-17)19(20,21)22)16(31)24-11-4-7-30-14(8-11)26-18(27-30)29-5-2-3-6-29/h4,7-10H,2-3,5-6H2,1H3,(H,24,31).
What are the key properties of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).