4-[4-(difluoromethyl)-5-methyl-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

C20H20F2N8OS — CID 90383496

IUPAC4-[4-(difluoromethyl)-5-methyl-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
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)nc1C(F)F
InChIInChI=1S/C20H20F2N8OS/c1-11-15(17(21)22)26-19(32-11)13-10-23-28(2)16(13)18(31)24-12-5-8-30-14(9-12)25-20(27-30)29-6-3-4-7-29/h5,8-10,17H,3-4,6-7H2,1-2H3,(H,24,31)
InChIKeyNKOMOJOYIJNLBI-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.68
Rot. Bonds5

About 4-[4-(difluoromethyl)-5-methyl-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)-5-methyl-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 90383496) has the molecular formula C20H20F2N8OS and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-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)-5-methyl-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 CID90383496
Molecular FormulaC20H20F2N8OS
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC Name4-[4-(difluoromethyl)-5-methyl-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
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)nc1C(F)F
InChIInChI=1S/C20H20F2N8OS/c1-11-15(17(21)22)26-19(32-11)13-10-23-28(2)16(13)18(31)24-12-5-8-30-14(9-12)25-20(27-30)29-6-3-4-7-29/h5,8-10,17H,3-4,6-7H2,1-2H3,(H,24,31)
InChIKeyNKOMOJOYIJNLBI-UHFFFAOYSA-N
XLogP3.68
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-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)-5-methyl-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 90383496) is 4-[4-(difluoromethyl)-5-methyl-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)-5-methyl-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)-5-methyl-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 Cc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-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 NKOMOJOYIJNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N8OS/c1-11-15(17(21)22)26-19(32-11)13-10-23-28(2)16(13)18(31)24-12-5-8-30-14(9-12)25-20(27-30)29-6-3-4-7-29/h5,8-10,17H,3-4,6-7H2,1-2H3,(H,24,31).
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-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)-5-methyl-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 458.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-methyl-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 90383496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).