2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C17H16N4O2 — CID 93203589

IUPAC2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(OC)c(-c2nc3ccc(N)cn3c2CC#N)c1
InChIInChI=1S/C17H16N4O2/c1-22-12-4-5-15(23-2)13(9-12)17-14(7-8-18)21-10-11(19)3-6-16(21)20-17/h3-6,9-10H,7,19H2,1-2H3
InChIKeyKASMOCKJNRQUNJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.67
Rot. Bonds4

About 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 93203589) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID93203589
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(OC)c(-c2nc3ccc(N)cn3c2CC#N)c1
InChIInChI=1S/C17H16N4O2/c1-22-12-4-5-15(23-2)13(9-12)17-14(7-8-18)21-10-11(19)3-6-16(21)20-17/h3-6,9-10H,7,19H2,1-2H3
InChIKeyKASMOCKJNRQUNJ-UHFFFAOYSA-N
XLogP2.67
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127888
6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618087
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
[3-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356101
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
2-[2-(4-aminophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82530319
2-(2,5-dimethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-6-amine
CID 82060125
2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866512
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548
2-[6-amino-2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82223353
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060349

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 93203589) is 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccc(OC)c(-c2nc3ccc(N)cn3c2CC#N)c1.
What is the InChIKey of 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is KASMOCKJNRQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-12-4-5-15(23-2)13(9-12)17-14(7-8-18)21-10-11(19)3-6-16(21)20-17/h3-6,9-10H,7,19H2,1-2H3.
What are the key properties of 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 93203589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).