6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C26H27F2N7OS — CID 24772109

IUPAC6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1
InChIInChI=1S/C26H27F2N7OS/c1-34-11-9-16(10-12-34)14-30-24(36)17-3-7-22(29-15-17)32-26-31-20-5-8-23(33-25(20)37-26)35(2)21-6-4-18(27)13-19(21)28/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,36)(H,29,31,32)
InChIKeyPSWPWDYYRNFRQF-UHFFFAOYSA-N
MW523.61 g/mol
LogP4.95
Rot. Bonds7

About 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide

6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 24772109) has the molecular formula C26H27F2N7OS and a molecular weight of 523.61 g/mol. Its IUPAC name is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID24772109
Molecular FormulaC26H27F2N7OS
Molecular Weight523.61 g/mol
Exact Mass523.20
IUPAC Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1
InChIInChI=1S/C26H27F2N7OS/c1-34-11-9-16(10-12-34)14-30-24(36)17-3-7-22(29-15-17)32-26-31-20-5-8-23(33-25(20)37-26)35(2)21-6-4-18(27)13-19(21)28/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,36)(H,29,31,32)
InChIKeyPSWPWDYYRNFRQF-UHFFFAOYSA-N
XLogP4.95
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 24772109) is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide is CN1CCC(CNC(=O)c2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1.
What is the InChIKey of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PSWPWDYYRNFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7OS/c1-34-11-9-16(10-12-34)14-30-24(36)17-3-7-22(29-15-17)32-26-31-20-5-8-23(33-25(20)37-26)35(2)21-6-4-18(27)13-19(21)28/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,30,36)(H,29,31,32).
What are the key properties of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 523.61 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24772109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).