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

C23H23ClF2N4O2 — CID 156789561

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

N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 156789561) has the molecular formula C23H23ClF2N4O2 and a molecular weight of 460.91 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide
• PubChem CID: 156789561
• Molecular Formula: C23H23ClF2N4O2
• Molecular Weight: 460.91 g/mol
• Exact Mass: 460.15
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide
• SMILES: CC1CN(C(C)C)c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc21
• InChI: InChI=1S/C23H23ClF2N4O2/c1-13(2)30-12-14(3)18-10-15(11-19(21(18)30)20-8-9-27-29-20)22(31)28-16-4-6-17(7-5-16)32-23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,27,29)(H,28,31)
• InChIKey: HXCOTZBLIKEHEH-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.91
LogP ≤ 5	5.83
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]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide (CID 156789561) is N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide.

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

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide is CC1CN(C(C)C)c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc21.

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

The InChIKey is HXCOTZBLIKEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N4O2/c1-13(2)30-12-14(3)18-10-15(11-19(21(18)30)20-8-9-27-29-20)22(31)28-16-4-6-17(7-5-16)32-23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,27,29)(H,28,31).

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

N-[4-[chloro(difluoro)methoxy]phenyl]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 460.91 g/mol, XLogP of 5.83, 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]-3-methyl-1-propan-2-yl-7-(1H-pyrazol-5-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 156789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).