N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide

C30H24F7N3O4 — CID 156872737

About N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide

N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide (PubChem CID 156872737) has the molecular formula C30H24F7N3O4 and a molecular weight of 623.53 g/mol. Its IUPAC name is N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
• PubChem CID: 156872737
• Molecular Formula: C30H24F7N3O4
• Molecular Weight: 623.53 g/mol
• Exact Mass: 623.17
• IUPAC Name: N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)F)cc2cc(C(F)F)cnc12
• InChI: InChI=1S/C30H24F7N3O4/c1-43-21-8-17(6-16-7-18(26(34)35)10-38-23(16)21)27(41)39-13-30(42,28(36)37)22-9-20-25(44-14-29(20,11-31)12-32)24(40-22)15-2-4-19(33)5-3-15/h2-10,26,28,42H,11-14H2,1H3,(H,39,41)/t30-/m0/s1
• InChIKey: MAWFNNXBBLWGAZ-PMERELPUSA-N
• XLogP: 5.83
• TPSA: 93.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.53
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?

The IUPAC name of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide (CID 156872737) is N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide.

What is the SMILES notation for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?

The canonical SMILES for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)F)cc2cc(C(F)F)cnc12.

What is the InChIKey of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?

The InChIKey is MAWFNNXBBLWGAZ-PMERELPUSA-N. The full InChI is InChI=1S/C30H24F7N3O4/c1-43-21-8-17(6-16-7-18(26(34)35)10-38-23(16)21)27(41)39-13-30(42,28(36)37)22-9-20-25(44-14-29(20,11-31)12-32)24(40-22)15-2-4-19(33)5-3-15/h2-10,26,28,42H,11-14H2,1H3,(H,39,41)/t30-/m0/s1.

What are the key properties of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?

N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide has a molecular weight of 623.53 g/mol, XLogP of 5.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3-difluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 156872737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).