4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C19H17F3N8OS — CID 90383144

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1
InChIInChI=1S/C19H17F3N8OS/c1-28-15(12(7-23-28)18-25-13(9-32-18)16(21)22)17(31)24-11-3-5-30-14(6-11)26-19(27-30)29-4-2-10(20)8-29/h3,5-7,9-10,16H,2,4,8H2,1H3,(H,24,31)/t10-/m1/s1
InChIKeyHUAYIZVSFFNNMQ-SNVBAGLBSA-N
MW462.46 g/mol
LogP3.32
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383144) has the molecular formula C19H17F3N8OS and a molecular weight of 462.46 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383144
Molecular FormulaC19H17F3N8OS
Molecular Weight462.46 g/mol
Exact Mass462.12
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1
InChIInChI=1S/C19H17F3N8OS/c1-28-15(12(7-23-28)18-25-13(9-32-18)16(21)22)17(31)24-11-3-5-30-14(6-11)26-19(27-30)29-4-2-10(20)8-29/h3,5-7,9-10,16H,2,4,8H2,1H3,(H,24,31)/t10-/m1/s1
InChIKeyHUAYIZVSFFNNMQ-SNVBAGLBSA-N
XLogP3.32
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383144) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is HUAYIZVSFFNNMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17F3N8OS/c1-28-15(12(7-23-28)18-25-13(9-32-18)16(21)22)17(31)24-11-3-5-30-14(6-11)26-19(27-30)29-4-2-10(20)8-29/h3,5-7,9-10,16H,2,4,8H2,1H3,(H,24,31)/t10-/m1/s1.
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).