N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide

C22H18N6O2 — CID 91135404

About N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91135404) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 91135404
• Molecular Formula: C22H18N6O2
• Molecular Weight: 398.43 g/mol
• Exact Mass: 398.15
• IUPAC Name: N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=NC(=O)NC(c2cnc3ccccc3c2)C1C(=O)Nc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C22H18N6O2/c1-12-19(21(29)26-16-6-7-18-14(9-16)11-24-28-18)20(27-22(30)25-12)15-8-13-4-2-3-5-17(13)23-10-15/h2-11,19-20H,1H3,(H,24,28)(H,26,29)(H,27,30)
• InChIKey: HHYMOGFBEBPIRN-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 112.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.43
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91135404) is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2cnc3ccccc3c2)C1C(=O)Nc1ccc2[nH]ncc2c1.

What is the InChIKey of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is HHYMOGFBEBPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-12-19(21(29)26-16-6-7-18-14(9-16)11-24-28-18)20(27-22(30)25-12)15-8-13-4-2-3-5-17(13)23-10-15/h2-11,19-20H,1H3,(H,24,28)(H,26,29)(H,27,30).

What are the key properties of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide?

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91135404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).