[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate

C35H37N3O2 — CID 3587460

IUPAC[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)nc2ccccn12
InChIInChI=1S/C35H37N3O2/c1-34(2,3)24-35(4,5)37-32-31(36-29-22-14-15-23-38(29)32)27-20-12-13-21-28(27)40-33(39)30(25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-23,30,37H,24H2,1-5H3
InChIKeyNBAITCMCYHMTJB-UHFFFAOYSA-N
MW531.70 g/mol
LogP8.37
Rot. Bonds8

About [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate

[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate (PubChem CID 3587460) has the molecular formula C35H37N3O2 and a molecular weight of 531.70 g/mol. Its IUPAC name is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate
PubChem CID3587460
Molecular FormulaC35H37N3O2
Molecular Weight531.70 g/mol
Exact Mass531.29
IUPAC Name[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)nc2ccccn12
InChIInChI=1S/C35H37N3O2/c1-34(2,3)24-35(4,5)37-32-31(36-29-22-14-15-23-38(29)32)27-20-12-13-21-28(27)40-33(39)30(25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-23,30,37H,24H2,1-5H3
InChIKeyNBAITCMCYHMTJB-UHFFFAOYSA-N
XLogP8.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate with MolForge

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Related Compounds

1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
CID 2877674
trans-4-(8-amino-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-3-yl)-N-methylcyclohexanecarboxamide
CID 11408442
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide
CID 49786470
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408
3-(6-Methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622687

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate?
The IUPAC name of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate (CID 3587460) is [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate?
The canonical SMILES for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate is CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)nc2ccccn12.
What is the InChIKey of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate?
The InChIKey is NBAITCMCYHMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c1-34(2,3)24-35(4,5)37-32-31(36-29-22-14-15-23-38(29)32)27-20-12-13-21-28(27)40-33(39)30(25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-23,30,37H,24H2,1-5H3.
What are the key properties of [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate?
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate has a molecular weight of 531.70 g/mol, XLogP of 8.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-diphenylacetate is sourced from PubChem (CID 3587460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).