N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

C24H22F4N4O3 — CID 162655237

About N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162655237) has the molecular formula C24H22F4N4O3 and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
• PubChem CID: 162655237
• Molecular Formula: C24H22F4N4O3
• Molecular Weight: 490.46 g/mol
• Exact Mass: 490.16
• IUPAC Name: N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
• SMILES: O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1
• InChI: InChI=1S/C24H22F4N4O3/c25-16-7-14(6-15(9-16)24(26,27)28)8-17-10-22(30-13-29-17)32-5-4-19-20(2-1-3-21(19)32)23(35)31-18(11-33)12-34/h1-3,6-7,9-10,13,18,33-34H,4-5,8,11-12H2,(H,31,35)
• InChIKey: ZAZBRXVTLDLXQP-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 98.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?

The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162655237) is N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?

The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is O=C(NC(CO)CO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.

What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?

The InChIKey is ZAZBRXVTLDLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O3/c25-16-7-14(6-15(9-16)24(26,27)28)8-17-10-22(30-13-29-17)32-5-4-19-20(2-1-3-21(19)32)23(35)31-18(11-33)12-34/h1-3,6-7,9-10,13,18,33-34H,4-5,8,11-12H2,(H,31,35).

What are the key properties of N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?

N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 490.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162655237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).