3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C22H21N3O — CID 57339391

IUPAC3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cnccc1-c1cnc2cc(-c3ccc(OC(C)C)cc3)ccn12
InChIInChI=1S/C22H21N3O/c1-15(2)26-19-6-4-17(5-7-19)18-9-11-25-21(14-24-22(25)12-18)20-8-10-23-13-16(20)3/h4-15H,1-3H3
InChIKeyTWQQWZORQSAYBR-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.16
Rot. Bonds4

About 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 57339391) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID57339391
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1cnccc1-c1cnc2cc(-c3ccc(OC(C)C)cc3)ccn12
InChIInChI=1S/C22H21N3O/c1-15(2)26-19-6-4-17(5-7-19)18-9-11-25-21(14-24-22(25)12-18)20-8-10-23-13-16(20)3/h4-15H,1-3H3
InChIKeyTWQQWZORQSAYBR-UHFFFAOYSA-N
XLogP5.16
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 57339391) is 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is Cc1cnccc1-c1cnc2cc(-c3ccc(OC(C)C)cc3)ccn12.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is TWQQWZORQSAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)26-19-6-4-17(5-7-19)18-9-11-25-21(14-24-22(25)12-18)20-8-10-23-13-16(20)3/h4-15H,1-3H3.
What are the key properties of 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 57339391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).