N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide

C35H36ClFN6O2 — CID 167011169

IUPACN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide
SMILESCN1c2ccc(NC(=O)c3ccc(C4CC4)nc3)cc2NC1CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C35H36ClFN6O2/c1-42-32-12-10-27(39-35(44)24-8-11-29(38-19-24)22-5-6-22)18-31(32)40-33(42)20-43-15-13-23(14-16-43)30-3-2-4-34(41-30)45-21-25-7-9-26(36)17-28(25)37/h2-4,7-12,17-19,22-23,33,40H,5-6,13-16,20-21H2,1H3,(H,39,44)
InChIKeyCYUKPCVARODHND-UHFFFAOYSA-N
MW627.16 g/mol
LogP7.05
Rot. Bonds9

About N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide

N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide (PubChem CID 167011169) has the molecular formula C35H36ClFN6O2 and a molecular weight of 627.16 g/mol. Its IUPAC name is N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide
PubChem CID167011169
Molecular FormulaC35H36ClFN6O2
Molecular Weight627.16 g/mol
Exact Mass626.26
IUPAC NameN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide
SMILESCN1c2ccc(NC(=O)c3ccc(C4CC4)nc3)cc2NC1CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C35H36ClFN6O2/c1-42-32-12-10-27(39-35(44)24-8-11-29(38-19-24)22-5-6-22)18-31(32)40-33(42)20-43-15-13-23(14-16-43)30-3-2-4-34(41-30)45-21-25-7-9-26(36)17-28(25)37/h2-4,7-12,17-19,22-23,33,40H,5-6,13-16,20-21H2,1H3,(H,39,44)
InChIKeyCYUKPCVARODHND-UHFFFAOYSA-N
XLogP7.05
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.16
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)benzimidazol-5-yl]-6-ethylpyridine-3-carboxamide
CID 167011088
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-N-(2,3-dihydro-1H-benzimidazol-5-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxamide
CID 170132297
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]oxetane-2-carboxamide
CID 167010595
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-pyridinyl]prop-2-enoic acid
CID 163644973
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-N-(7-ethyl-3-methyl-2H-indazol-5-yl)-1-methylbenzimidazole-5-carboxamide
CID 169168923
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 168817326
N-[6-bromo-4-(methylamino)-3-pyridinyl]-2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]acetamide
CID 140879650
(E)-3-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(2-methoxyethyl)imidazol-4-yl]prop-2-enoic acid
CID 168817322
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxamide
CID 168678432
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
CID 175266588
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide
CID 168678449

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide (CID 167011169) is N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide is CN1c2ccc(NC(=O)c3ccc(C4CC4)nc3)cc2NC1CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide?
The InChIKey is CYUKPCVARODHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClFN6O2/c1-42-32-12-10-27(39-35(44)24-8-11-29(38-19-24)22-5-6-22)18-31(32)40-33(42)20-43-15-13-23(14-16-43)30-3-2-4-34(41-30)45-21-25-7-9-26(36)17-28(25)37/h2-4,7-12,17-19,22-23,33,40H,5-6,13-16,20-21H2,1H3,(H,39,44).
What are the key properties of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide?
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide has a molecular weight of 627.16 g/mol, XLogP of 7.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 167011169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).