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

C22H18N6O3 — CID 139468593

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

(1S)-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 139468593) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is (1S)-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: (1S)-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: 139468593
• Molecular Formula: C22H18N6O3
• Molecular Weight: 414.43 g/mol
• Exact Mass: 414.14
• IUPAC Name: (1S)-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]4CC4C#N)ncc3c(N)n1)C(O)C(=O)N2
• InChI: InChI=1S/C22H18N6O3/c1-9-2-16-14(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/h2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)/t11?,13-,19?/m0/s1
• InChIKey: QQHRWTIORHEZHD-FPGGMFCHSA-N
• XLogP: 2.27
• TPSA: 154.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.43
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-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 139468593) is (1S)-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 (1S)-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 (1S)-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]4CC4C#N)ncc3c(N)n1)C(O)C(=O)N2.

What is the InChIKey of (1S)-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 QQHRWTIORHEZHD-FPGGMFCHSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-9-2-16-14(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/h2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)/t11?,13-,19?/m0/s1.

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

(1S)-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 414.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-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 139468593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).