1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole

C42H33ClF6N10 — CID 137390002

About 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole

1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole (PubChem CID 137390002) has the molecular formula C42H33ClF6N10 and a molecular weight of 827.24 g/mol. Its IUPAC name is 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole.

Molecular Properties

• Compound Name: 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole
• PubChem CID: 137390002
• Molecular Formula: C42H33ClF6N10
• Molecular Weight: 827.24 g/mol
• Exact Mass: 826.25
• IUPAC Name: 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole
• SMILES: Cc1cc(-c2cnn(CC3(C(F)(F)F)CC3n3c(C)nc4cc(-c5ncc(F)cc5-c5cnn(CC6CC(F)(F)C6)c5)ccc43)c2)c(-c2ccn3ccnc3c2)nc1Cl
• InChI: InChI=1S/C42H33ClF6N10/c1-23-9-31(38(55-39(23)43)27-5-7-56-8-6-50-36(56)11-27)29-17-53-58(21-29)22-40(42(47,48)49)15-35(40)59-24(2)54-33-10-26(3-4-34(33)59)37-32(12-30(44)18-51-37)28-16-52-57(20-28)19-25-13-41(45,46)14-25/h3-12,16-18,20-21,25,35H,13-15,19,22H2,1-2H3
• InChIKey: SLKIJGQWRMAPNZ-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 96.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.24
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole?

The IUPAC name of 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole (CID 137390002) is 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole.

What is the SMILES notation for 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole?

The canonical SMILES for 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole is Cc1cc(-c2cnn(CC3(C(F)(F)F)CC3n3c(C)nc4cc(-c5ncc(F)cc5-c5cnn(CC6CC(F)(F)C6)c5)ccc43)c2)c(-c2ccn3ccnc3c2)nc1Cl.

What is the InChIKey of 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole?

The InChIKey is SLKIJGQWRMAPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33ClF6N10/c1-23-9-31(38(55-39(23)43)27-5-7-56-8-6-50-36(56)11-27)29-17-53-58(21-29)22-40(42(47,48)49)15-35(40)59-24(2)54-33-10-26(3-4-34(33)59)37-32(12-30(44)18-51-37)28-16-52-57(20-28)19-25-13-41(45,46)14-25/h3-12,16-18,20-21,25,35H,13-15,19,22H2,1-2H3.

What are the key properties of 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole?

1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole has a molecular weight of 827.24 g/mol, XLogP of 10.18, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-(6-chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazole is sourced from PubChem (CID 137390002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).