N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide

C24H25ClN8OS — CID 89470115

About N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide

N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 89470115) has the molecular formula C24H25ClN8OS and a molecular weight of 509.04 g/mol. Its IUPAC name is N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide
• PubChem CID: 89470115
• Molecular Formula: C24H25ClN8OS
• Molecular Weight: 509.04 g/mol
• Exact Mass: 508.16
• IUPAC Name: N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide
• SMILES: CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)C4CCC4)C3)c2c1Cl
• InChI: InChI=1S/C24H25ClN8OS/c1-2-16-19(25)18-21(30-16)31-24(35-15-8-17-20(28-10-15)27-7-6-26-17)32-22(18)33-11-13(12-33)9-29-23(34)14-4-3-5-14/h6-8,10,13-14H,2-5,9,11-12H2,1H3,(H,29,34)(H,30,31,32)
• InChIKey: ZUQXUSZBOJIVMG-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 112.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.04
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide?

The IUPAC name of N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide (CID 89470115) is N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide?

The canonical SMILES for N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide is CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)C4CCC4)C3)c2c1Cl.

What is the InChIKey of N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide?

The InChIKey is ZUQXUSZBOJIVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8OS/c1-2-16-19(25)18-21(30-16)31-24(35-15-8-17-20(28-10-15)27-7-6-26-17)32-22(18)33-11-13(12-33)9-29-23(34)14-4-3-5-14/h6-8,10,13-14H,2-5,9,11-12H2,1H3,(H,29,34)(H,30,31,32).

What are the key properties of N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide?

N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 509.04 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 89470115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).