3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine

C25H24N8 — CID 66679083

IUPAC3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cc(NCCc2ccccn2)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1
InChIInChI=1S/C25H24N8/c1-16-14-21(28-12-9-18-7-3-4-11-27-18)24-32-22(19-8-5-6-17(2)30-19)23(33(24)15-16)20-10-13-29-25(26)31-20/h3-8,10-11,13-15,28H,9,12H2,1-2H3,(H2,26,29,31)
InChIKeyGNCJJLAGVLNJOB-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.10
Rot. Bonds6

About 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine

3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 66679083) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID66679083
Molecular FormulaC25H24N8
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Name3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cc(NCCc2ccccn2)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1
InChIInChI=1S/C25H24N8/c1-16-14-21(28-12-9-18-7-3-4-11-27-18)24-32-22(19-8-5-6-17(2)30-19)23(33(24)15-16)20-10-13-29-25(26)31-20/h3-8,10-11,13-15,28H,9,12H2,1-2H3,(H2,26,29,31)
InChIKeyGNCJJLAGVLNJOB-UHFFFAOYSA-N
XLogP4.10
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine (CID 66679083) is 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine is Cc1cc(NCCc2ccccn2)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is GNCJJLAGVLNJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-16-14-21(28-12-9-18-7-3-4-11-27-18)24-32-22(19-8-5-6-17(2)30-19)23(33(24)15-16)20-10-13-29-25(26)31-20/h3-8,10-11,13-15,28H,9,12H2,1-2H3,(H2,26,29,31).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine?
3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 436.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-6-methyl-2-(6-methyl-2-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 66679083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).