N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid

C55H71N7O6 — CID 143631182

IUPACN-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC.CCC(C)(CC(=O)O)CC(=O)N1CCC(c2nc(-c3ccccc3OC)c3ccccn23)CC1.COc1ccccc1-c1nc(C2CCCN(C(=O)NC3CCCCC3)C2)n2ccccc12
InChIInChI=1S/C27H33N3O4.C26H32N4O2.C2H6/c1-4-27(2,18-24(32)33)17-23(31)29-15-12-19(13-16-29)26-28-25(21-10-7-8-14-30(21)26)20-9-5-6-11-22(20)34-3;1-32-23-15-6-5-13-21(23)24-22-14-7-8-17-30(22)25(28-24)19-10-9-16-29(18-19)26(31)27-20-11-3-2-4-12-20;1-2/h5-11,14,19H,4,12-13,15-18H2,1-3H3,(H,32,33);5-8,13-15,17,19-20H,2-4,9-12,16,18H2,1H3,(H,27,31);1-2H3
InChIKeyAZSDZEDTPIDDPC-UHFFFAOYSA-N
MW926.22 g/mol
LogP11.25
Rot. Bonds12

About N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid

N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid (PubChem CID 143631182) has the molecular formula C55H71N7O6 and a molecular weight of 926.22 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid
PubChem CID143631182
Molecular FormulaC55H71N7O6
Molecular Weight926.22 g/mol
Exact Mass925.55
IUPAC NameN-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC.CCC(C)(CC(=O)O)CC(=O)N1CCC(c2nc(-c3ccccc3OC)c3ccccn23)CC1.COc1ccccc1-c1nc(C2CCCN(C(=O)NC3CCCCC3)C2)n2ccccc12
InChIInChI=1S/C27H33N3O4.C26H32N4O2.C2H6/c1-4-27(2,18-24(32)33)17-23(31)29-15-12-19(13-16-29)26-28-25(21-10-7-8-14-30(21)26)20-9-5-6-11-22(20)34-3;1-32-23-15-6-5-13-21(23)24-22-14-7-8-17-30(22)25(28-24)19-10-9-16-29(18-19)26(31)27-20-11-3-2-4-12-20;1-2/h5-11,14,19H,4,12-13,15-18H2,1-3H3,(H,32,33);5-8,13-15,17,19-20H,2-4,9-12,16,18H2,1H3,(H,27,31);1-2H3
InChIKeyAZSDZEDTPIDDPC-UHFFFAOYSA-N
XLogP11.25
TPSA143.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.22
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid with MolForge

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Related Compounds

1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[(3-imidazo[1,2-a]pyridin-6-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carbonyl)amino]piperidine-3-carboxylic acid
CID 91970768
5-[2-[1-(2-Methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 126475385
2-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 172438650
5-[2-[1-(3-Methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 24811355
4-[[2-Cyclohexyl-2-[5,6-difluoro-2-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 44198736
2-[4-[[2-Cyclohexyl-2-[5,6-difluoro-2-(2-methoxy-3-pyridinyl)benzimidazol-1-yl]acetyl]amino]cyclohexyl]acetic acid
CID 44198865
3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 53896755
3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54114261
3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54204253
(2,3,4,5,6-Pentafluorophenyl) 5-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-5-oxopentanoate
CID 129073250
tert-butyl 4-[[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]methyl]piperidine-1-carboxylate;N-(piperidin-4-ylmethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 158658297
(2R)-2-cyclohexyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]acetic acid;methyl (2R)-2-cyclohexyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]acetate
CID 159882034

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid?
The IUPAC name of N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid (CID 143631182) is N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid is CC.CCC(C)(CC(=O)O)CC(=O)N1CCC(c2nc(-c3ccccc3OC)c3ccccn23)CC1.COc1ccccc1-c1nc(C2CCCN(C(=O)NC3CCCCC3)C2)n2ccccc12.
What is the InChIKey of N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid?
The InChIKey is AZSDZEDTPIDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4.C26H32N4O2.C2H6/c1-4-27(2,18-24(32)33)17-23(31)29-15-12-19(13-16-29)26-28-25(21-10-7-8-14-30(21)26)20-9-5-6-11-22(20)34-3;1-32-23-15-6-5-13-21(23)24-22-14-7-8-17-30(22)25(28-24)19-10-9-16-29(18-19)26(31)27-20-11-3-2-4-12-20;1-2/h5-11,14,19H,4,12-13,15-18H2,1-3H3,(H,32,33);5-8,13-15,17,19-20H,2-4,9-12,16,18H2,1H3,(H,27,31);1-2H3.
What are the key properties of N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid?
N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid has a molecular weight of 926.22 g/mol, XLogP of 11.25, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide;ethane;3-ethyl-5-[4-[1-(2-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 143631182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).