6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

C25H27F2N7O2S — CID 22019052

IUPAC6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1
InChIInChI=1S/C25H27F2N7O2S/c26-19-10-20(27)21(9-18(19)24(36)33-15-2-3-15)29-12-17-13-31-25(37-17)34-22-4-1-14(11-30-22)23(35)32-16-5-7-28-8-6-16/h1,4,9-11,13,15-16,28-29H,2-3,5-8,12H2,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyXEKVEXAQNBQUKK-UHFFFAOYSA-N
MW527.60 g/mol
LogP3.55
Rot. Bonds9

About 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 22019052) has the molecular formula C25H27F2N7O2S and a molecular weight of 527.60 g/mol. Its IUPAC name is 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID22019052
Molecular FormulaC25H27F2N7O2S
Molecular Weight527.60 g/mol
Exact Mass527.19
IUPAC Name6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1
InChIInChI=1S/C25H27F2N7O2S/c26-19-10-20(27)21(9-18(19)24(36)33-15-2-3-15)29-12-17-13-31-25(37-17)34-22-4-1-14(11-30-22)23(35)32-16-5-7-28-8-6-16/h1,4,9-11,13,15-16,28-29H,2-3,5-8,12H2,(H,32,35)(H,33,36)(H,30,31,34)
InChIKeyXEKVEXAQNBQUKK-UHFFFAOYSA-N
XLogP3.55
TPSA120.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 53.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-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 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (CID 22019052) is 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is O=C(NC1CCNCC1)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1.
What is the InChIKey of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is XEKVEXAQNBQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2S/c26-19-10-20(27)21(9-18(19)24(36)33-15-2-3-15)29-12-17-13-31-25(37-17)34-22-4-1-14(11-30-22)23(35)32-16-5-7-28-8-6-16/h1,4,9-11,13,15-16,28-29H,2-3,5-8,12H2,(H,32,35)(H,33,36)(H,30,31,34).
What are the key properties of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 3.55, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 22019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).