cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C42H36F2N10O4 — CID 158010605

About cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 158010605) has the molecular formula C42H36F2N10O4 and a molecular weight of 782.81 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 158010605
• Molecular Formula: C42H36F2N10O4
• Molecular Weight: 782.81 g/mol
• Exact Mass: 782.29
• IUPAC Name: cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n1)CC(=O)N2.Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n1)CC(=O)N2
• InChI: InChI=1S/2C21H18FN5O2/c2*1-9-2-16-11(6-19(28)25-16)3-12(9)17-4-10-5-18(24-8-14(10)20(23)26-17)27-21(29)13-7-15(13)22/h2*2-5,8,13,15H,6-7H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29)/t2*13-,15+/m10/s1
• InChIKey: FEVKCQLTNSYMEP-NATOKKMCSA-N
• XLogP: 5.96
• TPSA: 220.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.81
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 158010605) is cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n1)CC(=O)N2.Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n1)CC(=O)N2.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is FEVKCQLTNSYMEP-NATOKKMCSA-N. The full InChI is InChI=1S/2C21H18FN5O2/c2*1-9-2-16-11(6-19(28)25-16)3-12(9)17-4-10-5-18(24-8-14(10)20(23)26-17)27-21(29)13-7-15(13)22/h2*2-5,8,13,15H,6-7H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29)/t2*13-,15+/m10/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 782.81 g/mol, XLogP of 5.96, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 158010605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).