cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane

C41H36F8N8O4 — CID 157194156

About cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane

cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane (PubChem CID 157194156) has the molecular formula C41H36F8N8O4 and a molecular weight of 856.77 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane.

Molecular Properties

• Compound Name: cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane
• PubChem CID: 157194156
• Molecular Formula: C41H36F8N8O4
• Molecular Weight: 856.77 g/mol
• Exact Mass: 856.27
• IUPAC Name: cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane
• SMILES: C.Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
• InChI: InChI=1S/2C20H16F4N4O2.CH4/c2*1-9-2-16(18(29)20(22,23)24)26-8-13(9)15-3-10-7-27-17(4-11(10)6-25-15)28-19(30)12-5-14(12)21;/h2*2-4,6-8,12,14,18,29H,5H2,1H3,(H,27,28,30);1H4/t12-,14+,18+;12-,14+,18-;/m11./s1
• InChIKey: AQAVGZKYNCNFQY-BXGHBJSNSA-N
• XLogP: 8.42
• TPSA: 176.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.77
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane?

The IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane (CID 157194156) is cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane.

What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane?

The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane is C.Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.

What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane?

The InChIKey is AQAVGZKYNCNFQY-BXGHBJSNSA-N. The full InChI is InChI=1S/2C20H16F4N4O2.CH4/c2*1-9-2-16(18(29)20(22,23)24)26-8-13(9)15-3-10-7-27-17(4-11(10)6-25-15)28-19(30)12-5-14(12)21;/h2*2-4,6-8,12,14,18,29H,5H2,1H3,(H,27,28,30);1H4/t12-,14+,18+;12-,14+,18-;/m11./s1.

What are the key properties of cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane?

cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane has a molecular weight of 856.77 g/mol, XLogP of 8.42, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide;methane is sourced from PubChem (CID 157194156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).