N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C19H15ClFN5O2 — CID 91217504

About N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91217504) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 91217504
• Molecular Formula: C19H15ClFN5O2
• Molecular Weight: 399.81 g/mol
• Exact Mass: 399.09
• IUPAC Name: N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=NC(=O)NC(c2ccc(F)cc2)C1C(=O)Nc1cc(Cl)c2[nH]ncc2c1
• InChI: InChI=1S/C19H15ClFN5O2/c1-9-15(17(25-19(28)23-9)10-2-4-12(21)5-3-10)18(27)24-13-6-11-8-22-26-16(11)14(20)7-13/h2-8,15,17H,1H3,(H,22,26)(H,24,27)(H,25,28)
• InChIKey: JCPDPRHHDPKLCM-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 99.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.81
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91217504) is N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc(F)cc2)C1C(=O)Nc1cc(Cl)c2[nH]ncc2c1.

What is the InChIKey of N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is JCPDPRHHDPKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O2/c1-9-15(17(25-19(28)23-9)10-2-4-12(21)5-3-10)18(27)24-13-6-11-8-22-26-16(11)14(20)7-13/h2-8,15,17H,1H3,(H,22,26)(H,24,27)(H,25,28).

What are the key properties of N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide?

N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 399.81 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91217504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).