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

C21H22F2N8OS — CID 90383128

IUPAC4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F
InChIInChI=1S/C21H22F2N8OS/c1-11-5-4-7-30(11)21-26-15-9-13(6-8-31(15)28-21)25-19(32)17-14(10-24-29(17)3)20-27-16(18(22)23)12(2)33-20/h6,8-11,18H,4-5,7H2,1-3H3,(H,25,32)/t11-/m0/s1
InChIKeyICBVLPZZDZDFNW-NSHDSACASA-N
MW472.53 g/mol
LogP4.07
Rot. Bonds5

About 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (PubChem CID 90383128) has the molecular formula C21H22F2N8OS and a molecular weight of 472.53 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
PubChem CID90383128
Molecular FormulaC21H22F2N8OS
Molecular Weight472.53 g/mol
Exact Mass472.16
IUPAC Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F
InChIInChI=1S/C21H22F2N8OS/c1-11-5-4-7-30(11)21-26-15-9-13(6-8-31(15)28-21)25-19(32)17-14(10-24-29(17)3)20-27-16(18(22)23)12(2)33-20/h6,8-11,18H,4-5,7H2,1-3H3,(H,25,32)/t11-/m0/s1
InChIKeyICBVLPZZDZDFNW-NSHDSACASA-N
XLogP4.07
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (CID 90383128) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is Cc1sc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCC[C@@H]4C)nc3c2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
The InChIKey is ICBVLPZZDZDFNW-NSHDSACASA-N. The full InChI is InChI=1S/C21H22F2N8OS/c1-11-5-4-7-30(11)21-26-15-9-13(6-8-31(15)28-21)25-19(32)17-14(10-24-29(17)3)20-27-16(18(22)23)12(2)33-20/h6,8-11,18H,4-5,7H2,1-3H3,(H,25,32)/t11-/m0/s1.
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-[2-[(2S)-2-methylpyrrolidin-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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 4.07, 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-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).