7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione

C32H32Cl2FN5O4 — CID 163236154

About 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione

7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 163236154) has the molecular formula C32H32Cl2FN5O4 and a molecular weight of 640.54 g/mol. Its IUPAC name is 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

• Compound Name: 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione
• PubChem CID: 163236154
• Molecular Formula: C32H32Cl2FN5O4
• Molecular Weight: 640.54 g/mol
• Exact Mass: 639.18
• IUPAC Name: 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione
• SMILES: C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4c(Cl)cccc4OC)c(Cl)cc32)C1
• InChI: InChI=1S/C32H32Cl2FN5O4/c1-7-24(41)38-14-32(35,15-38)16-39-22-13-21(34)27(25-20(33)9-8-10-23(25)44-6)37-29(22)40(31(43)30(39)42)28-19(17(2)3)11-12-36-26(28)18(4)5/h7-13,17-18H,1,14-16H2,2-6H3
• InChIKey: WJDHGAGFYKSGPW-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 99.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.54
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione?

The IUPAC name of 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione (CID 163236154) is 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione.

What is the SMILES notation for 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione?

The canonical SMILES for 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione is C=CC(=O)N1CC(F)(Cn2c(=O)c(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4c(Cl)cccc4OC)c(Cl)cc32)C1.

What is the InChIKey of 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione?

The InChIKey is WJDHGAGFYKSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Cl2FN5O4/c1-7-24(41)38-14-32(35,15-38)16-39-22-13-21(34)27(25-20(33)9-8-10-23(25)44-6)37-29(22)40(31(43)30(39)42)28-19(17(2)3)11-12-36-26(28)18(4)5/h7-13,17-18H,1,14-16H2,2-6H3.

What are the key properties of 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione?

7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 640.54 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-(2-chloro-6-methoxyphenyl)-4-[2,4-di(propan-2-yl)-3-pyridinyl]-1-[(3-fluoro-1-prop-2-enoylazetidin-3-yl)methyl]pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 163236154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).