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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide

C99H101Cl4N35O8S6 — CID 159793832

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide (PubChem CID 159793832) has the molecular formula C99H101Cl4N35O8S6 and a molecular weight of 2243.35 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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide.

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide
• PubChem CID: 159793832
• Molecular Formula: C99H101Cl4N35O8S6
• Molecular Weight: 2243.35 g/mol
• Exact Mass: 2239.57
• 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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide
• SMILES: CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)C4CCC4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CCN4CCCCC4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CN4C(=O)CSC4=O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CN4C(=O)CSC4=O)C3)c2c1Cl
• InChI: InChI=1S/C27H32ClN9OS.2C24H22ClN9O3S2.C24H25ClN8OS/c1-2-19-23(28)22-25(33-19)34-27(39-18-12-20-24(32-14-18)30-8-7-29-20)35-26(22)37-15-17(16-37)13-31-21(38)6-11-36-9-4-3-5-10-36;2*1-2-14-19(25)18-21(30-14)31-23(39-13-5-15-20(29-7-13)27-4-3-26-15)32-22(18)33-8-12(9-33)6-28-16(35)10-34-17(36)11-38-24(34)37;1-2-16-19(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/h7-8,12,14,17H,2-6,9-11,13,15-16H2,1H3,(H,31,38)(H,33,34,35);2*3-5,7,12H,2,6,8-11H2,1H3,(H,28,35)(H,30,31,32);6-8,10,13-14H,2-5,9,11-12H2,1H3,(H,29,34)(H,30,31,32)
• InChIKey: NIXKAZRWCAFNCV-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 528.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.35
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide?

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide (CID 159793832) 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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide.

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide?

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide is CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)C4CCC4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CCN4CCCCC4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CN4C(=O)CSC4=O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)CN4C(=O)CSC4=O)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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide?

The InChIKey is NIXKAZRWCAFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN9OS.2C24H22ClN9O3S2.C24H25ClN8OS/c1-2-19-23(28)22-25(33-19)34-27(39-18-12-20-24(32-14-18)30-8-7-29-20)35-26(22)37-15-17(16-37)13-31-21(38)6-11-36-9-4-3-5-10-36;2*1-2-14-19(25)18-21(30-14)31-23(39-13-5-15-20(29-7-13)27-4-3-26-15)32-22(18)33-8-12(9-33)6-28-16(35)10-34-17(36)11-38-24(34)37;1-2-16-19(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/h7-8,12,14,17H,2-6,9-11,13,15-16H2,1H3,(H,31,38)(H,33,34,35);2*3-5,7,12H,2,6,8-11H2,1H3,(H,28,35)(H,30,31,32);6-8,10,13-14H,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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide?

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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide has a molecular weight of 2243.35 g/mol, XLogP of 13.93, 32 rotatable bonds, 8 hydrogen bond donors, and 39 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;bis(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]-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide);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]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 159793832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).