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

C20H16N6O2 — CID 91134729

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

6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91134729) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 91134729
• Molecular Formula: C20H16N6O2
• Molecular Weight: 372.39 g/mol
• Exact Mass: 372.13
• IUPAC Name: 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=NC(=O)NC(c2ccc(C#N)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C20H16N6O2/c1-11-17(19(27)24-15-6-7-16-14(8-15)10-22-26-16)18(25-20(28)23-11)13-4-2-12(9-21)3-5-13/h2-8,10,17-18H,1H3,(H,22,26)(H,24,27)(H,25,28)
• InChIKey: URTIDOYALKTSHN-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 123.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.39
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91134729) is 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc(C#N)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1.

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

The InChIKey is URTIDOYALKTSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-11-17(19(27)24-15-6-7-16-14(8-15)10-22-26-16)18(25-20(28)23-11)13-4-2-12(9-21)3-5-13/h2-8,10,17-18H,1H3,(H,22,26)(H,24,27)(H,25,28).

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

6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91134729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).