2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide

C28H24F3N5O3 — CID 11584633

About 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11584633) has the molecular formula C28H24F3N5O3 and a molecular weight of 535.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 11584633
• Molecular Formula: C28H24F3N5O3
• Molecular Weight: 535.53 g/mol
• Exact Mass: 535.18
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
• SMILES: COc1ccc(C2=NC(c3ccc(C(F)(F)F)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1OC
• InChI: InChI=1S/C28H24F3N5O3/c1-15-24(27(37)34-20-9-10-21-18(12-20)14-32-36-21)25(16-4-7-19(8-5-16)28(29,30)31)35-26(33-15)17-6-11-22(38-2)23(13-17)39-3/h4-14,25H,1-3H3,(H,32,36)(H,33,35)(H,34,37)
• InChIKey: QEAAWEQYXIIJKB-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 100.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.53
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (CID 11584633) is 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.

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

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc(C(F)(F)F)cc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1OC.

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

The InChIKey is QEAAWEQYXIIJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O3/c1-15-24(27(37)34-20-9-10-21-18(12-20)14-32-36-21)25(16-4-7-19(8-5-16)28(29,30)31)35-26(33-15)17-6-11-22(38-2)23(13-17)39-3/h4-14,25H,1-3H3,(H,32,36)(H,33,35)(H,34,37).

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

2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 535.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11584633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).