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

C25H25F2N7O2S — CID 24772111

IUPAC6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)NCCN4CCOCC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C25H25F2N7O2S/c1-33(20-5-3-17(26)14-18(20)27)22-7-4-19-24(32-22)37-25(30-19)31-21-6-2-16(15-29-21)23(35)28-8-9-34-10-12-36-13-11-34/h2-7,14-15H,8-13H2,1H3,(H,28,35)(H,29,30,31)
InChIKeyLOAQBJVMZSQFBQ-UHFFFAOYSA-N
MW525.59 g/mol
LogP3.94
Rot. Bonds8

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

6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 24772111) has the molecular formula C25H25F2N7O2S and a molecular weight of 525.59 g/mol. Its IUPAC name is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID24772111
Molecular FormulaC25H25F2N7O2S
Molecular Weight525.59 g/mol
Exact Mass525.18
IUPAC Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)NCCN4CCOCC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C25H25F2N7O2S/c1-33(20-5-3-17(26)14-18(20)27)22-7-4-19-24(32-22)37-25(30-19)31-21-6-2-16(15-29-21)23(35)28-8-9-34-10-12-36-13-11-34/h2-7,14-15H,8-13H2,1H3,(H,28,35)(H,29,30,31)
InChIKeyLOAQBJVMZSQFBQ-UHFFFAOYSA-N
XLogP3.94
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 24772111) is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is CN(c1ccc2nc(Nc3ccc(C(=O)NCCN4CCOCC4)cn3)sc2n1)c1ccc(F)cc1F.
What is the InChIKey of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is LOAQBJVMZSQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2S/c1-33(20-5-3-17(26)14-18(20)27)22-7-4-19-24(32-22)37-25(30-19)31-21-6-2-16(15-29-21)23(35)28-8-9-34-10-12-36-13-11-34/h2-7,14-15H,8-13H2,1H3,(H,28,35)(H,29,30,31).
What are the key properties of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24772111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).