3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile

C26H25N3O2 — CID 146659129

IUPAC3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cc2C#N)cc1
InChIInChI=1S/C26H25N3O2/c1-17(2)30-22-9-5-19(6-10-22)24-16-29-25(15-28-26(29)13-21(24)14-27)20-7-11-23(12-8-20)31-18(3)4/h5-13,15-18H,1-4H3
InChIKeyIQYKBLJKDWXZIU-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.11
Rot. Bonds6

About 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile

3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 146659129) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID146659129
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cc2C#N)cc1
InChIInChI=1S/C26H25N3O2/c1-17(2)30-22-9-5-19(6-10-22)24-16-29-25(15-28-26(29)13-21(24)14-27)20-7-11-23(12-8-20)31-18(3)4/h5-13,15-18H,1-4H3
InChIKeyIQYKBLJKDWXZIU-UHFFFAOYSA-N
XLogP6.11
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 146659129) is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile is CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cc2C#N)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is IQYKBLJKDWXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17(2)30-22-9-5-19(6-10-22)24-16-29-25(15-28-26(29)13-21(24)14-27)20-7-11-23(12-8-20)31-18(3)4/h5-13,15-18H,1-4H3.
What are the key properties of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 411.51 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146659129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).