1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one

C24H38N2O3 — CID 158815547

IUPAC1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one
SMILESCCCCC(CC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12)C(C)(C)O
InChIInChI=1S/C24H38N2O3/c1-8-9-10-19(24(6,7)28)14-20(27)22-18(5)25-23-21(29-12-11-16(2)3)13-17(4)15-26(22)23/h13,15-16,19,28H,8-12,14H2,1-7H3
InChIKeyIVFIYPVQNOKXEB-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.53
Rot. Bonds11

About 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one

1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one (PubChem CID 158815547) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one.

Molecular Properties

Compound Name1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one
PubChem CID158815547
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one
SMILESCCCCC(CC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12)C(C)(C)O
InChIInChI=1S/C24H38N2O3/c1-8-9-10-19(24(6,7)28)14-20(27)22-18(5)25-23-21(29-12-11-16(2)3)13-17(4)15-26(22)23/h13,15-16,19,28H,8-12,14H2,1-7H3
InChIKeyIVFIYPVQNOKXEB-UHFFFAOYSA-N
XLogP5.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 74222630
1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6,6,7,7,7-pentafluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
CID 160956973
2,6-dimethyl-8-(2-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 141406543
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-6-ethyl-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)heptan-1-one
CID 159937344
8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115570
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 159478514
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
CID 157458892
6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121301912
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232417
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126636186

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one?
The IUPAC name of 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one (CID 158815547) is 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one.
What is the SMILES notation for 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one?
The canonical SMILES for 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one is CCCCC(CC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12)C(C)(C)O.
What is the InChIKey of 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one?
The InChIKey is IVFIYPVQNOKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-8-9-10-19(24(6,7)28)14-20(27)22-18(5)25-23-21(29-12-11-16(2)3)13-17(4)15-26(22)23/h13,15-16,19,28H,8-12,14H2,1-7H3.
What are the key properties of 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one?
1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one has a molecular weight of 402.58 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one is sourced from PubChem (CID 158815547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).