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

C19H18F2N8OS — CID 90383494

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H18F2N8OS/c1-27-15(12(9-22-27)18-24-13(10-31-18)16(20)21)17(30)23-11-4-7-29-14(8-11)25-19(26-29)28-5-2-3-6-28/h4,7-10,16H,2-3,5-6H2,1H3,(H,23,30)
InChIKeyPABRNWCIVKTLRP-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.38
Rot. Bonds5

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

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383494) has the molecular formula C19H18F2N8OS and a molecular weight of 444.47 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383494
Molecular FormulaC19H18F2N8OS
Molecular Weight444.47 g/mol
Exact Mass444.13
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H18F2N8OS/c1-27-15(12(9-22-27)18-24-13(10-31-18)16(20)21)17(30)23-11-4-7-29-14(8-11)25-19(26-29)28-5-2-3-6-28/h4,7-10,16H,2-3,5-6H2,1H3,(H,23,30)
InChIKeyPABRNWCIVKTLRP-UHFFFAOYSA-N
XLogP3.38
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383494) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is PABRNWCIVKTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N8OS/c1-27-15(12(9-22-27)18-24-13(10-31-18)16(20)21)17(30)23-11-4-7-29-14(8-11)25-19(26-29)28-5-2-3-6-28/h4,7-10,16H,2-3,5-6H2,1H3,(H,23,30).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.38, 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]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).