2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C37H29F3N8O4 — CID 167188961

About 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 167188961) has the molecular formula C37H29F3N8O4 and a molecular weight of 706.69 g/mol. Its IUPAC name is 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• PubChem CID: 167188961
• Molecular Formula: C37H29F3N8O4
• Molecular Weight: 706.69 g/mol
• Exact Mass: 706.23
• IUPAC Name: 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• SMILES: Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2n(CCc2ccncc2-c2cc3cnc(NC(=O)C4CC4F)cc3[nH]c2=O)c1=O
• InChI: InChI=1S/C37H29F3N8O4/c1-17-25(14-42-16-29(17)40)22-7-20-13-44-33(47-36(51)24-9-28(24)39)11-31(20)48(37(22)52)5-3-18-2-4-41-15-26(18)21-6-19-12-43-32(10-30(19)45-34(21)49)46-35(50)23-8-27(23)38/h2,4,6-7,10-16,23-24,27-28H,3,5,8-9H2,1H3,(H,45,49)(H,43,46,50)(H,44,47,51)/t23?,24-,27?,28-/m0/s1
• InChIKey: BJVKIWMNTGCTAL-KEAVKFBJSA-N
• XLogP: 5.04
• TPSA: 164.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.69
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 167188961) is 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2n(CCc2ccncc2-c2cc3cnc(NC(=O)C4CC4F)cc3[nH]c2=O)c1=O.

What is the InChIKey of 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The InChIKey is BJVKIWMNTGCTAL-KEAVKFBJSA-N. The full InChI is InChI=1S/C37H29F3N8O4/c1-17-25(14-42-16-29(17)40)22-7-20-13-44-33(47-36(51)24-9-28(24)39)11-31(20)48(37(22)52)5-3-18-2-4-41-15-26(18)21-6-19-12-43-32(10-30(19)45-34(21)49)46-35(50)23-8-27(23)38/h2,4,6-7,10-16,23-24,27-28H,3,5,8-9H2,1H3,(H,45,49)(H,43,46,50)(H,44,47,51)/t23?,24-,27?,28-/m0/s1.

What are the key properties of 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 706.69 g/mol, XLogP of 5.04, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[4-[2-[7-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-3-(5-fluoro-4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-1-yl]ethyl]-3-pyridinyl]-2-oxo-1H-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167188961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).