4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one

C29H26F2N4O2 — CID 147394429

IUPAC4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC(CN)c3ccc4ncccc4c3)n2c1
InChIInChI=1S/C29H26F2N4O2/c1-17-11-27(37-16-22-23(30)6-3-7-24(22)31)29-34-18(2)28(35(29)15-17)26(36)13-21(14-32)19-8-9-25-20(12-19)5-4-10-33-25/h3-12,15,21H,13-14,16,32H2,1-2H3
InChIKeyDNNAELPTXLGDKF-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.67
Rot. Bonds8

About 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one (PubChem CID 147394429) has the molecular formula C29H26F2N4O2 and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one
PubChem CID147394429
Molecular FormulaC29H26F2N4O2
Molecular Weight500.55 g/mol
Exact Mass500.20
IUPAC Name4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC(CN)c3ccc4ncccc4c3)n2c1
InChIInChI=1S/C29H26F2N4O2/c1-17-11-27(37-16-22-23(30)6-3-7-24(22)31)29-34-18(2)28(35(29)15-17)26(36)13-21(14-32)19-8-9-25-20(12-19)5-4-10-33-25/h3-12,15,21H,13-14,16,32H2,1-2H3
InChIKeyDNNAELPTXLGDKF-UHFFFAOYSA-N
XLogP5.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methanone, (7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)phenyl-
CID 10314568
(5-Methoxy-7-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055764
(7-Ethyl-5-methoxy-4-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279132
(4,7-Diethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279134
2,3-Dimethyl-N,9-diphenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730398
N-(4-ethoxyphenyl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23731292
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
CID 118504517
3-amino-5-(4-fluorophenyl)-6-(3-methyl-3H-benzo[d]imidazol-5-yl)-N-((3-(2-(methylamino)ethoxy)pyridin-2-yl) methyl)pyrazine-2-carboxamide
CID 146380580
US11866436, Example 172
CID 164915187
(5-Methoxy-7-propan-2-ylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055766
(7-Butyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055767
(7-Fluoro-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055775

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one?
The IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one (CID 147394429) is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one.
What is the SMILES notation for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one?
The canonical SMILES for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CC(CN)c3ccc4ncccc4c3)n2c1.
What is the InChIKey of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one?
The InChIKey is DNNAELPTXLGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O2/c1-17-11-27(37-16-22-23(30)6-3-7-24(22)31)29-34-18(2)28(35(29)15-17)26(36)13-21(14-32)19-8-9-25-20(12-19)5-4-10-33-25/h3-12,15,21H,13-14,16,32H2,1-2H3.
What are the key properties of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one?
4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one has a molecular weight of 500.55 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one is sourced from PubChem (CID 147394429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).