4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

C20H15N5 — CID 163717547

IUPAC4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cc(-n4cnc(C5CC5)c4)ccn23)cc1
InChIInChI=1S/C20H15N5/c21-10-14-1-3-16(4-2-14)19-11-22-20-9-17(7-8-25(19)20)24-12-18(23-13-24)15-5-6-15/h1-4,7-9,11-13,15H,5-6H2
InChIKeyKORJDNYROOXMEM-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.94
Rot. Bonds3

About 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 163717547) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID163717547
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3cc(-n4cnc(C5CC5)c4)ccn23)cc1
InChIInChI=1S/C20H15N5/c21-10-14-1-3-16(4-2-14)19-11-22-20-9-17(7-8-25(19)20)24-12-18(23-13-24)15-5-6-15/h1-4,7-9,11-13,15H,5-6H2
InChIKeyKORJDNYROOXMEM-UHFFFAOYSA-N
XLogP3.94
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1530
CID 1530
CID 667720
CID 667720
CID 821089
CID 821089
CID 1477845
CID 1477845
CID 58880626
CID 58880626
CID 735319
CID 735319
CID 10133248
CID 10133248
CID 135233366
CID 135233366
CID 606670
CID 606670
CID 23668568
CID 23668568
CID 199307
CID 199307
CID 201136
CID 201136

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 163717547) is 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3cc(-n4cnc(C5CC5)c4)ccn23)cc1.
What is the InChIKey of 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is KORJDNYROOXMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-10-14-1-3-16(4-2-14)19-11-22-20-9-17(7-8-25(19)20)24-12-18(23-13-24)15-5-6-15/h1-4,7-9,11-13,15H,5-6H2.
What are the key properties of 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 163717547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).