(2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide

C28H27F3N6O — CID 155534046

About (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide

(2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 155534046) has the molecular formula C28H27F3N6O and a molecular weight of 520.56 g/mol. Its IUPAC name is (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 155534046
• Molecular Formula: C28H27F3N6O
• Molecular Weight: 520.56 g/mol
• Exact Mass: 520.22
• IUPAC Name: (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: CCCN(c1cncnc1)[C@@H]1Cc2ccc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2C1
• InChI: InChI=1S/C28H27F3N6O/c1-3-6-37(26-13-32-16-33-14-26)25-8-19-4-5-20(7-21(19)9-25)27(38)35-23-10-22(28(29,30)31)11-24(12-23)36-15-18(2)34-17-36/h4-5,7,10-17,25H,3,6,8-9H2,1-2H3,(H,35,38)/t25-/m1/s1
• InChIKey: DADUZDKFVWUYOP-RUZDIDTESA-N
• XLogP: 5.63
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.56
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide (CID 155534046) is (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide is CCCN(c1cncnc1)[C@@H]1Cc2ccc(C(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2C1.

What is the InChIKey of (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is DADUZDKFVWUYOP-RUZDIDTESA-N. The full InChI is InChI=1S/C28H27F3N6O/c1-3-6-37(26-13-32-16-33-14-26)25-8-19-4-5-20(7-21(19)9-25)27(38)35-23-10-22(28(29,30)31)11-24(12-23)36-15-18(2)34-17-36/h4-5,7,10-17,25H,3,6,8-9H2,1-2H3,(H,35,38)/t25-/m1/s1.

What are the key properties of (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide?

(2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 520.56 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[propyl(pyrimidin-5-yl)amino]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 155534046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).