(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C26H38N4O2 — CID 129423376

IUPAC(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCCN4CCCC[C@H]4C)cn3C2)cc1C
InChIInChI=1S/C26H38N4O2/c1-18-14-22(15-19(2)25(18)32-4)21-9-10-24-28-23(17-30(24)16-21)26(31)27-11-7-13-29-12-6-5-8-20(29)3/h14-15,17,20-21H,5-13,16H2,1-4H3,(H,27,31)/t20-,21-/m1/s1
InChIKeyXKKFNCNJUALHDT-NHCUHLMSSA-N
MW438.62 g/mol
LogP4.23
Rot. Bonds7

About (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 129423376) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID129423376
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCCN4CCCC[C@H]4C)cn3C2)cc1C
InChIInChI=1S/C26H38N4O2/c1-18-14-22(15-19(2)25(18)32-4)21-9-10-24-28-23(17-30(24)16-21)26(31)27-11-7-13-29-12-6-5-8-20(29)3/h14-15,17,20-21H,5-13,16H2,1-4H3,(H,27,31)/t20-,21-/m1/s1
InChIKeyXKKFNCNJUALHDT-NHCUHLMSSA-N
XLogP4.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
(6R)-6-(4-ethylphenyl)-N-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013489
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013372
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46081124
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 129423376) is (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCCN4CCCC[C@H]4C)cn3C2)cc1C.
What is the InChIKey of (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XKKFNCNJUALHDT-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-18-14-22(15-19(2)25(18)32-4)21-9-10-24-28-23(17-30(24)16-21)26(31)27-11-7-13-29-12-6-5-8-20(29)3/h14-15,17,20-21H,5-13,16H2,1-4H3,(H,27,31)/t20-,21-/m1/s1.
What are the key properties of (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 129423376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).