N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide

C25H25ClF2N4O2 — CID 156789606

About N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 156789606) has the molecular formula C25H25ClF2N4O2 and a molecular weight of 486.95 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide
• PubChem CID: 156789606
• Molecular Formula: C25H25ClF2N4O2
• Molecular Weight: 486.95 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide
• SMILES: O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)N(C1CCCCC1)CC2
• InChI: InChI=1S/C25H25ClF2N4O2/c26-25(27,28)34-20-8-6-18(7-9-20)30-24(33)17-14-16-11-13-32(19-4-2-1-3-5-19)23(16)21(15-17)22-10-12-29-31-22/h6-10,12,14-15,19H,1-5,11,13H2,(H,29,31)(H,30,33)
• InChIKey: XACDPJUAFCAGSU-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.95
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide (CID 156789606) is N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)N(C1CCCCC1)CC2.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide?

The InChIKey is XACDPJUAFCAGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF2N4O2/c26-25(27,28)34-20-8-6-18(7-9-20)30-24(33)17-14-16-11-13-32(19-4-2-1-3-5-19)23(16)21(15-17)22-10-12-29-31-22/h6-10,12,14-15,19H,1-5,11,13H2,(H,29,31)(H,30,33).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 486.95 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclohexyl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 156789606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).