1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine

C23H31N5 — CID 70312257

IUPAC1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(-c2cn3c(N4CCC(N(C)C)CC4)cnc3cc2CN)c(C)c1
InChIInChI=1S/C23H31N5/c1-16-5-6-20(17(2)11-16)21-15-28-22(12-18(21)13-24)25-14-23(28)27-9-7-19(8-10-27)26(3)4/h5-6,11-12,14-15,19H,7-10,13,24H2,1-4H3
InChIKeyRWPWSBOYIOQIFJ-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.61
Rot. Bonds4

About 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine

1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 70312257) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID70312257
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(-c2cn3c(N4CCC(N(C)C)CC4)cnc3cc2CN)c(C)c1
InChIInChI=1S/C23H31N5/c1-16-5-6-20(17(2)11-16)21-15-28-22(12-18(21)13-24)25-14-23(28)27-9-7-19(8-10-27)26(3)4/h5-6,11-12,14-15,19H,7-10,13,24H2,1-4H3
InChIKeyRWPWSBOYIOQIFJ-UHFFFAOYSA-N
XLogP3.61
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine (CID 70312257) is 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine is Cc1ccc(-c2cn3c(N4CCC(N(C)C)CC4)cnc3cc2CN)c(C)c1.
What is the InChIKey of 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is RWPWSBOYIOQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-16-5-6-20(17(2)11-16)21-15-28-22(12-18(21)13-24)25-14-23(28)27-9-7-19(8-10-27)26(3)4/h5-6,11-12,14-15,19H,7-10,13,24H2,1-4H3.
What are the key properties of 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine?
1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 377.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 70312257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).