4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

C63H69ClF5N15O9 — CID 160503622

IUPAC4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@@H](O)CO)cc4F)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4Cl)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4F)CC3)[nH]c2c1
InChIInChI=1S/C21H23ClFN5O3.2C21H23F2N5O3/c3*1-12-2-3-15-16(8-12)26-19(25-15)27-20(31)28-6-4-21(23,5-7-28)18-14(22)9-13(10-24-18)17(30)11-29/h3*2-3,8-10,17,29-30H,4-7,11H2,1H3,(H2,25,26,27,31)/t3*17-/m110/s1
InChIKeyQSCPAFZKWSPFGL-SOLSQYRBSA-N
MW1310.78 g/mol
LogP9.29
Rot. Bonds12

About 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 160503622) has the molecular formula C63H69ClF5N15O9 and a molecular weight of 1310.78 g/mol. Its IUPAC name is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID160503622
Molecular FormulaC63H69ClF5N15O9
Molecular Weight1310.78 g/mol
Exact Mass1309.50
IUPAC Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@@H](O)CO)cc4F)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4Cl)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4F)CC3)[nH]c2c1
InChIInChI=1S/C21H23ClFN5O3.2C21H23F2N5O3/c3*1-12-2-3-15-16(8-12)26-19(25-15)27-20(31)28-6-4-21(23,5-7-28)18-14(22)9-13(10-24-18)17(30)11-29/h3*2-3,8-10,17,29-30H,4-7,11H2,1H3,(H2,25,26,27,31)/t3*17-/m110/s1
InChIKeyQSCPAFZKWSPFGL-SOLSQYRBSA-N
XLogP9.29
TPSA343.11 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001310.78
LogP ≤ 59.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Analyze 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)ethane-1,2-diol
CID 15984102
N-(6-chloro-1H-benzimidazol-2-yl)-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 57770401
N-(6-chloro-1H-benzimidazol-2-yl)-4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 57770522
N-(6-chloro-1H-benzimidazol-2-yl)-4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 57770526
1-[5-chloro-6-[3-methyl-4-[6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethane-1,2-diol
CID 11635643
1-[5-chloro-6-[(3R)-3-methyl-4-[4-(3,4,5-trifluorophenyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethane-1,2-diol
CID 11584400
4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 134212516
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 134212518
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 134212523
(1S)-1-[5-chloro-6-[(3R)-3-methyl-4-[6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethanol;(1R)-1-[5-chloro-6-[(3R)-3-methyl-4-[6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethanol
CID 157210280
(1S)-1-[5-chloro-6-[(3R)-4-[4-(4-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]ethanol;(1R)-1-[5-chloro-6-[(3R)-4-[4-(4-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]ethanol
CID 157568472
(1S)-1-[5-chloro-6-[(3R)-3-methyl-4-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethanol;(1R)-1-[5-chloro-6-[(3R)-3-methyl-4-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]ethanol
CID 157616030

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (CID 160503622) is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@@H](O)CO)cc4F)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4Cl)CC3)[nH]c2c1.Cc1ccc2nc(NC(=O)N3CCC(F)(c4ncc([C@H](O)CO)cc4F)CC3)[nH]c2c1.
What is the InChIKey of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is QSCPAFZKWSPFGL-SOLSQYRBSA-N. The full InChI is InChI=1S/C21H23ClFN5O3.2C21H23F2N5O3/c3*1-12-2-3-15-16(8-12)26-19(25-15)27-20(31)28-6-4-21(23,5-7-28)18-14(22)9-13(10-24-18)17(30)11-29/h3*2-3,8-10,17,29-30H,4-7,11H2,1H3,(H2,25,26,27,31)/t3*17-/m110/s1.
What are the key properties of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 1310.78 g/mol, XLogP of 9.29, 12 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 160503622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).