1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C25H28F2N8O4S — CID 122184238

About 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 122184238) has the molecular formula C25H28F2N8O4S and a molecular weight of 574.61 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
• PubChem CID: 122184238
• Molecular Formula: C25H28F2N8O4S
• Molecular Weight: 574.61 g/mol
• Exact Mass: 574.19
• IUPAC Name: 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
• SMILES: CCN(CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cn2n1
• InChI: InChI=1S/C25H28F2N8O4S/c1-4-34(5-2)11-10-28-25(36)31-24-30-22-9-6-16(15-35(22)32-24)17-12-20(23(39-3)29-14-17)33-40(37,38)21-8-7-18(26)13-19(21)27/h6-9,12-15,33H,4-5,10-11H2,1-3H3,(H2,28,31,32,36)
• InChIKey: RQCGZIMOCDOERZ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 142.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.61
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?

The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 122184238) is 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?

The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCN(CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cn2n1.

What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?

The InChIKey is RQCGZIMOCDOERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O4S/c1-4-34(5-2)11-10-28-25(36)31-24-30-22-9-6-16(15-35(22)32-24)17-12-20(23(39-3)29-14-17)33-40(37,38)21-8-7-18(26)13-19(21)27/h6-9,12-15,33H,4-5,10-11H2,1-3H3,(H2,28,31,32,36).

What are the key properties of 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?

1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 574.61 g/mol, XLogP of 3.34, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)ethyl]-3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 122184238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).