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

C44H36N12O6 — CID 159627306

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

cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 159627306) has the molecular formula C44H36N12O6 and a molecular weight of 828.85 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
• PubChem CID: 159627306
• Molecular Formula: C44H36N12O6
• Molecular Weight: 828.85 g/mol
• Exact Mass: 828.29
• IUPAC Name: cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
• SMILES: Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@@H]4C[C@H]4C#N)ncc3c(N)n1)C(O)C(=O)N2.Cc1cc2c(cc1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4C#N)ncc3c(N)n1)C(O)C(=O)N2
• InChI: InChI=1S/2C22H18N6O3/c2*1-9-2-16-14(19(29)22(31)27-16)6-12(9)17-4-10-5-18(25-8-15(10)20(24)26-17)28-21(30)13-3-11(13)7-23/h2*2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)/t2*11-,13+,19?/m10/s1
• InChIKey: MOQXSWMHKARYMZ-QHELANERSA-N
• XLogP: 4.54
• TPSA: 308.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.85
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 159627306) is cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

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

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

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

The InChIKey is MOQXSWMHKARYMZ-QHELANERSA-N. The full InChI is InChI=1S/2C22H18N6O3/c2*1-9-2-16-14(19(29)22(31)27-16)6-12(9)17-4-10-5-18(25-8-15(10)20(24)26-17)28-21(30)13-3-11(13)7-23/h2*2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)/t2*11-,13+,19?/m10/s1.

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

cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 828.85 g/mol, XLogP of 4.54, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 159627306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).