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

C25H27F2N7OS — CID 24772171

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

N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 24772171) has the molecular formula C25H27F2N7OS and a molecular weight of 511.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide
• PubChem CID: 24772171
• Molecular Formula: C25H27F2N7OS
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)cc4F)nc3s2)nc1
• InChI: InChI=1S/C25H27F2N7OS/c1-4-34(5-2)13-12-28-23(35)16-6-10-21(29-15-16)31-25-30-19-8-11-22(32-24(19)36-25)33(3)20-9-7-17(26)14-18(20)27/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,28,35)(H,29,30,31)
• InChIKey: BJSMOJSDXAHHEM-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide (CID 24772171) is N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide is CCN(CC)CCNC(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)cc4F)nc3s2)nc1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide?

The InChIKey is BJSMOJSDXAHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7OS/c1-4-34(5-2)13-12-28-23(35)16-6-10-21(29-15-16)31-25-30-19-8-11-22(32-24(19)36-25)33(3)20-9-7-17(26)14-18(20)27/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,28,35)(H,29,30,31).

What are the key properties of N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide?

N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 24772171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).