(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile

C25H17N5 — CID 25369775

IUPAC(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1cn2ccccc2n1
InChIInChI=1S/C25H17N5/c26-16-20(23-18-29-14-8-7-13-24(29)27-23)15-21-17-30(22-11-5-2-6-12-22)28-25(21)19-9-3-1-4-10-19/h1-15,17-18H/b20-15+
InChIKeyXSQQBCLJDUQKKW-HMMYKYKNSA-N
MW387.45 g/mol
LogP5.25
Rot. Bonds4

About (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile

(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile (PubChem CID 25369775) has the molecular formula C25H17N5 and a molecular weight of 387.45 g/mol. Its IUPAC name is (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile
PubChem CID25369775
Molecular FormulaC25H17N5
Molecular Weight387.45 g/mol
Exact Mass387.15
IUPAC Name(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1cn2ccccc2n1
InChIInChI=1S/C25H17N5/c26-16-20(23-18-29-14-8-7-13-24(29)27-23)15-21-17-30(22-11-5-2-6-12-22)28-25(21)19-9-3-1-4-10-19/h1-15,17-18H/b20-15+
InChIKeyXSQQBCLJDUQKKW-HMMYKYKNSA-N
XLogP5.25
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
(Z)-2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile
CID 40630796
(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 7912313
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135765506
2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]propanedinitrile
CID 904285
(Z)-2-(2-fluorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 2091693
5-amino-3-[1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 4704577
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
CID 2345073
3-(1,3-diphenylpyrazol-4-yl)-2-(5-methyl-1,3-benzoxazol-2-yl)prop-2-enenitrile
CID 171919271
(E)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonylprop-2-enenitrile
CID 8828373

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile (CID 25369775) is (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1cn2ccccc2n1.
What is the InChIKey of (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile?
The InChIKey is XSQQBCLJDUQKKW-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H17N5/c26-16-20(23-18-29-14-8-7-13-24(29)27-23)15-21-17-30(22-11-5-2-6-12-22)28-25(21)19-9-3-1-4-10-19/h1-15,17-18H/b20-15+.
What are the key properties of (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile?
(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile has a molecular weight of 387.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-imidazo[1,2-a]pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 25369775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).