6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

C27H19F6N5O2 — CID 90863970

About 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide

6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 90863970) has the molecular formula C27H19F6N5O2 and a molecular weight of 559.47 g/mol. Its IUPAC name is 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 90863970
• Molecular Formula: C27H19F6N5O2
• Molecular Weight: 559.47 g/mol
• Exact Mass: 559.14
• IUPAC Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=NC(=O)NC(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C27H19F6N5O2/c1-13-22(24(39)36-20-6-7-21-17(10-20)12-34-38-21)23(37-25(40)35-13)15-4-2-14(3-5-15)16-8-18(26(28,29)30)11-19(9-16)27(31,32)33/h2-12,22-23H,1H3,(H,34,38)(H,36,39)(H,37,40)
• InChIKey: GAZCXNWPPKTIBA-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 99.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.47
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 90863970) is 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1C(=O)Nc1ccc2[nH]ncc2c1.

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

The InChIKey is GAZCXNWPPKTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6N5O2/c1-13-22(24(39)36-20-6-7-21-17(10-20)12-34-38-21)23(37-25(40)35-13)15-4-2-14(3-5-15)16-8-18(26(28,29)30)11-19(9-16)27(31,32)33/h2-12,22-23H,1H3,(H,34,38)(H,36,39)(H,37,40).

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

6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 559.47 g/mol, XLogP of 6.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90863970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).