N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C23H20ClF2N5O3 — CID 155761929

About N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 155761929) has the molecular formula C23H20ClF2N5O3 and a molecular weight of 487.89 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
• PubChem CID: 155761929
• Molecular Formula: C23H20ClF2N5O3
• Molecular Weight: 487.89 g/mol
• Exact Mass: 487.12
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
• SMILES: CC1CCC(O)c2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21
• InChI: InChI=1S/C23H20ClF2N5O3/c1-12-2-7-19(32)21-29-18-11-13(10-16(20(18)31(12)21)17-8-9-27-30-17)22(33)28-14-3-5-15(6-4-14)34-23(24,25)26/h3-6,8-12,19,32H,2,7H2,1H3,(H,27,30)(H,28,33)
• InChIKey: ARFAEAOVWAKMMX-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 105.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.89
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 155761929) is N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is CC1CCC(O)c2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?

The InChIKey is ARFAEAOVWAKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N5O3/c1-12-2-7-19(32)21-29-18-11-13(10-16(20(18)31(12)21)17-8-9-27-30-17)22(33)28-14-3-5-15(6-4-14)34-23(24,25)26/h3-6,8-12,19,32H,2,7H2,1H3,(H,27,30)(H,28,33).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 487.89 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-4-hydroxy-1-methyl-9-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 155761929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).