(1R,4R)-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 146458660

IUPAC(1R,4R)-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
SMILESC[C@@H]1CC[C@@H](O)c2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21
InChIInChI=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)/t12-,19-/m1/s1
InChIKeyARFAEAOVWAKMMX-CWTRNNRKSA-N
MW487.89 g/mol
LogP5.23
Rot. Bonds5

About (1R,4R)-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

(1R,4R)-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 146458660) has the molecular formula C23H20ClF2N5O3 and a molecular weight of 487.89 g/mol. Its IUPAC name is (1R,4R)-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(1R,4R)-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 CID146458660
Molecular FormulaC23H20ClF2N5O3
Molecular Weight487.89 g/mol
Exact Mass487.12
IUPAC Name(1R,4R)-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
SMILESC[C@@H]1CC[C@@H](O)c2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21
InChIInChI=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)/t12-,19-/m1/s1
InChIKeyARFAEAOVWAKMMX-CWTRNNRKSA-N
XLogP5.23
TPSA105.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,4R)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 146458745
CID 146458745
CID 24797387
CID 24797387
CID 139413881
CID 139413881
CID 118045032
CID 118045032
CID 139431508
CID 139431508
CID 146458583
CID 146458583
CID 146458585
CID 146458585
CID 146458588
CID 146458588
CID 146458612
CID 146458612
CID 146458624
CID 146458624
CID 146458647
CID 146458647
CID 146458651
CID 146458651

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-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 (1R,4R)-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 146458660) is (1R,4R)-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 (1R,4R)-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 (1R,4R)-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 C[C@@H]1CC[C@@H](O)c2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21.
What is the InChIKey of (1R,4R)-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-CWTRNNRKSA-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)/t12-,19-/m1/s1.
What are the key properties of (1R,4R)-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?
(1R,4R)-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 (1R,4R)-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 146458660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).