4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

C19H17F3N8OS — CID 162543149

IUPAC4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCc1sc(-c2cn[nH]c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F
InChIInChI=1S/C19H17F3N8OS/c1-9-14(16(21)22)26-18(32-9)12-7-23-27-15(12)17(31)24-11-3-5-30-13(6-11)25-19(28-30)29-4-2-10(20)8-29/h3,5-7,10,16H,2,4,8H2,1H3,(H,23,27)(H,24,31)/t10-/m0/s1
InChIKeyFGSHZEVVXXDIHK-JTQLQIEISA-N
MW462.46 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (PubChem CID 162543149) has the molecular formula C19H17F3N8OS and a molecular weight of 462.46 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
PubChem CID162543149
Molecular FormulaC19H17F3N8OS
Molecular Weight462.46 g/mol
Exact Mass462.12
IUPAC Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCc1sc(-c2cn[nH]c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F
InChIInChI=1S/C19H17F3N8OS/c1-9-14(16(21)22)26-18(32-9)12-7-23-27-15(12)17(31)24-11-3-5-30-13(6-11)25-19(28-30)29-4-2-10(20)8-29/h3,5-7,10,16H,2,4,8H2,1H3,(H,23,27)(H,24,31)/t10-/m0/s1
InChIKeyFGSHZEVVXXDIHK-JTQLQIEISA-N
XLogP3.62
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (CID 162543149) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is Cc1sc(-c2cn[nH]c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is FGSHZEVVXXDIHK-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17F3N8OS/c1-9-14(16(21)22)26-18(32-9)12-7-23-27-15(12)17(31)24-11-3-5-30-13(6-11)25-19(28-30)29-4-2-10(20)8-29/h3,5-7,10,16H,2,4,8H2,1H3,(H,23,27)(H,24,31)/t10-/m0/s1.
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162543149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).