6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C87H107Cl5N20O4 — CID 158629495

IUPAC6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)O.Cc1ccc(CN2CCCCC2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Clc1cnc2nc(C3CCCCN3)[nH]c2c1.Nc1cc(Cl)cnc1N
InChIInChI=1S/3C20H23ClN4.C11H13ClN4.C11H19NO4.C5H6ClN3/c3*1-13-6-7-15(9-14(13)2)12-25-8-4-3-5-18(25)20-23-17-10-16(21)11-22-19(17)24-20;12-7-5-9-10(14-6-7)16-11(15-9)8-3-1-2-4-13-8;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;6-3-1-4(7)5(8)9-2-3/h3*6-7,9-11,18H,3-5,8,12H2,1-2H3,(H,22,23,24);5-6,8,13H,1-4H2,(H,14,15,16);8H,4-7H2,1-3H3,(H,13,14);1-2H,7H2,(H2,8,9)/t2*18-;;;;/m10..../s1
InChIKeyHYZZKOFXFFUDDQ-RTMVUYSBSA-N
MW1674.21 g/mol
LogP20.05
Rot. Bonds11

About 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 158629495) has the molecular formula C87H107Cl5N20O4 and a molecular weight of 1674.21 g/mol. Its IUPAC name is 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID158629495
Molecular FormulaC87H107Cl5N20O4
Molecular Weight1674.21 g/mol
Exact Mass1670.72
IUPAC Name6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)O.Cc1ccc(CN2CCCCC2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Clc1cnc2nc(C3CCCCN3)[nH]c2c1.Nc1cc(Cl)cnc1N
InChIInChI=1S/3C20H23ClN4.C11H13ClN4.C11H19NO4.C5H6ClN3/c3*1-13-6-7-15(9-14(13)2)12-25-8-4-3-5-18(25)20-23-17-10-16(21)11-22-19(17)24-20;12-7-5-9-10(14-6-7)16-11(15-9)8-3-1-2-4-13-8;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;6-3-1-4(7)5(8)9-2-3/h3*6-7,9-11,18H,3-5,8,12H2,1-2H3,(H,22,23,24);5-6,8,13H,1-4H2,(H,14,15,16);8H,4-7H2,1-3H3,(H,13,14);1-2H,7H2,(H2,8,9)/t2*18-;;;;/m10..../s1
InChIKeyHYZZKOFXFFUDDQ-RTMVUYSBSA-N
XLogP20.05
TPSA319.80 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms116
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001674.21
LogP ≤ 520.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 158629495) is 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCCC1C(=O)O.Cc1ccc(CN2CCCCC2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Cc1ccc(CN2CCCC[C@H]2c2nc3ncc(Cl)cc3[nH]2)cc1C.Clc1cnc2nc(C3CCCCN3)[nH]c2c1.Nc1cc(Cl)cnc1N.
What is the InChIKey of 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is HYZZKOFXFFUDDQ-RTMVUYSBSA-N. The full InChI is InChI=1S/3C20H23ClN4.C11H13ClN4.C11H19NO4.C5H6ClN3/c3*1-13-6-7-15(9-14(13)2)12-25-8-4-3-5-18(25)20-23-17-10-16(21)11-22-19(17)24-20;12-7-5-9-10(14-6-7)16-11(15-9)8-3-1-2-4-13-8;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;6-3-1-4(7)5(8)9-2-3/h3*6-7,9-11,18H,3-5,8,12H2,1-2H3,(H,22,23,24);5-6,8,13H,1-4H2,(H,14,15,16);8H,4-7H2,1-3H3,(H,13,14);1-2H,7H2,(H2,8,9)/t2*18-;;;;/m10..../s1.
What are the key properties of 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 1674.21 g/mol, XLogP of 20.05, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-[(2S)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-1H-imidazo[4,5-b]pyridine;6-chloro-2-piperidin-2-yl-1H-imidazo[4,5-b]pyridine;5-chloropyridine-2,3-diamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 158629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).