N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C23H21N7O2 — CID 10387796

About N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 10387796) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 10387796
• Molecular Formula: C23H21N7O2
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.18
• IUPAC Name: N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• SMILES: CC1(C)CC(=O)Nc2nc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc21
• InChI: InChI=1S/C23H21N7O2/c1-23(2)11-19(31)29-21-16(23)7-8-18(27-21)28-22(32)15-4-3-9-24-20(15)26-14-6-5-13-12-25-30-17(13)10-14/h3-10,12H,11H2,1-2H3,(H,24,26)(H,25,30)(H2,27,28,29,31,32)
• InChIKey: ZONIBBCYTUKVBM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 124.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 10387796) is N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is CC1(C)CC(=O)Nc2nc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc21.

What is the InChIKey of N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The InChIKey is ZONIBBCYTUKVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-23(2)11-19(31)29-21-16(23)7-8-18(27-21)28-22(32)15-4-3-9-24-20(15)26-14-6-5-13-12-25-30-17(13)10-14/h3-10,12H,11H2,1-2H3,(H,24,26)(H,25,30)(H2,27,28,29,31,32).

What are the key properties of N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethyl-7-oxo-6,8-dihydro-1,8-naphthyridin-2-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10387796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).