ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

C25H31N5 — CID 142198717

IUPACethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCC.CCc1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25N5.C2H6/c1-5-20-24-12-10-19(25-20)23-22(18-8-6-16(2)7-9-18)26-21-14-17(15-27(3)4)11-13-28(21)23;1-2/h6-14H,5,15H2,1-4H3;1-2H3
InChIKeyBZVXTPCJVPQETC-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.42
Rot. Bonds5

About ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (PubChem CID 142198717) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
PubChem CID142198717
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Nameethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCC.CCc1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25N5.C2H6/c1-5-20-24-12-10-19(25-20)23-22(18-8-6-16(2)7-9-18)26-21-14-17(15-27(3)4)11-13-28(21)23;1-2/h6-14H,5,15H2,1-4H3;1-2H3
InChIKeyBZVXTPCJVPQETC-UHFFFAOYSA-N
XLogP5.42
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
CID 142199413
7-ethyl-2-(4-methylphenyl)-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 142198770
ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 142198972
1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824273
N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142198980
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane
CID 142199126
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 58824460
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
CID 58824481
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142199127
1-[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyrimidin-7-ylimidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824298
ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
CID 142199280
[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine
CID 142198805

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (CID 142198717) is ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is CC.CCc1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The InChIKey is BZVXTPCJVPQETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5.C2H6/c1-5-20-24-12-10-19(25-20)23-22(18-8-6-16(2)7-9-18)26-21-14-17(15-27(3)4)11-13-28(21)23;1-2/h6-14H,5,15H2,1-4H3;1-2H3.
What are the key properties of ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine has a molecular weight of 401.56 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 142198717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).