N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide

C26H20F3N5O2 — CID 91372536

About N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91372536) has the molecular formula C26H20F3N5O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 91372536
• Molecular Formula: C26H20F3N5O2
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.16
• IUPAC Name: N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=NC(=O)NC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C26H20F3N5O2/c1-14-22(24(35)32-20-10-11-21-18(12-20)13-30-34-21)23(33-25(36)31-14)17-4-2-15(3-5-17)16-6-8-19(9-7-16)26(27,28)29/h2-13,22-23H,1H3,(H,30,34)(H,32,35)(H,33,36)
• InChIKey: RPHNSYLOSMIQKR-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 99.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91372536) is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1.

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

The InChIKey is RPHNSYLOSMIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O2/c1-14-22(24(35)32-20-10-11-21-18(12-20)13-30-34-21)23(33-25(36)31-14)17-4-2-15(3-5-17)16-6-8-19(9-7-16)26(27,28)29/h2-13,22-23H,1H3,(H,30,34)(H,32,35)(H,33,36).

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

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91372536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).