7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide

C30H23ClF2N4O4 — CID 176770378

About 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide

7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide (PubChem CID 176770378) has the molecular formula C30H23ClF2N4O4 and a molecular weight of 576.99 g/mol. Its IUPAC name is 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide.

Molecular Properties

• Compound Name: 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide
• PubChem CID: 176770378
• Molecular Formula: C30H23ClF2N4O4
• Molecular Weight: 576.99 g/mol
• Exact Mass: 576.14
• IUPAC Name: 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide
• SMILES: NC(=O)c1cc2c(c(F)c1-c1c(Cl)c(F)cc3c1C[C@](c1ccccc1)([C@@H]1CCCN1)O3)Oc1nccnc1C2O
• InChI: InChI=1S/C30H23ClF2N4O4/c31-23-18(32)12-19-17(13-30(41-19,20-7-4-8-35-20)14-5-2-1-3-6-14)21(23)22-15(28(34)39)11-16-26(38)25-29(37-10-9-36-25)40-27(16)24(22)33/h1-3,5-6,9-12,20,26,35,38H,4,7-8,13H2,(H2,34,39)/t20-,26?,30-/m0/s1
• InChIKey: OMNFEVOJBPAKFC-KXYCXDMKSA-N
• XLogP: 4.94
• TPSA: 119.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.99
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide?

The IUPAC name of 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide (CID 176770378) is 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide.

What is the SMILES notation for 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide?

The canonical SMILES for 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide is NC(=O)c1cc2c(c(F)c1-c1c(Cl)c(F)cc3c1C[C@](c1ccccc1)([C@@H]1CCCN1)O3)Oc1nccnc1C2O.

What is the InChIKey of 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide?

The InChIKey is OMNFEVOJBPAKFC-KXYCXDMKSA-N. The full InChI is InChI=1S/C30H23ClF2N4O4/c31-23-18(32)12-19-17(13-30(41-19,20-7-4-8-35-20)14-5-2-1-3-6-14)21(23)22-15(28(34)39)11-16-26(38)25-29(37-10-9-36-25)40-27(16)24(22)33/h1-3,5-6,9-12,20,26,35,38H,4,7-8,13H2,(H2,34,39)/t20-,26?,30-/m0/s1.

What are the key properties of 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide?

7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide has a molecular weight of 576.99 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-6-fluoro-10-hydroxy-10H-chromeno[2,3-b]pyrazine-8-carboxamide is sourced from PubChem (CID 176770378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).