3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C25H27N3O2 — CID 163368576

IUPAC3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4)cn23)cnc1OC(C)C
InChIInChI=1S/C25H27N3O2/c1-16(2)29-22-9-6-19(7-10-22)20-8-11-24-26-14-23(28(24)15-20)21-12-18(5)25(27-13-21)30-17(3)4/h6-17H,1-5H3
InChIKeyAOKPFDFOWIVJJC-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.95
Rot. Bonds6

About 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 163368576) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID163368576
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4)cn23)cnc1OC(C)C
InChIInChI=1S/C25H27N3O2/c1-16(2)29-22-9-6-19(7-10-22)20-8-11-24-26-14-23(28(24)15-20)21-12-18(5)25(27-13-21)30-17(3)4/h6-17H,1-5H3
InChIKeyAOKPFDFOWIVJJC-UHFFFAOYSA-N
XLogP5.95
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 163368576) is 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is Cc1cc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4)cn23)cnc1OC(C)C.
What is the InChIKey of 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is AOKPFDFOWIVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16(2)29-22-9-6-19(7-10-22)20-8-11-24-26-14-23(28(24)15-20)21-12-18(5)25(27-13-21)30-17(3)4/h6-17H,1-5H3.
What are the key properties of 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 401.51 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 163368576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).