3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea

C20H18ClN5O — CID 86864338

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C20H18ClN5O/c1-2-8-25(12-16-5-3-4-15(9-16)10-22)20(27)23-11-18-14-26-13-17(21)6-7-19(26)24-18/h2-7,9,13-14H,1,8,11-12H2,(H,23,27)
InChIKeyDPUAIXWOCJYGPE-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.76
Rot. Bonds6

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea (PubChem CID 86864338) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea
PubChem CID86864338
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C20H18ClN5O/c1-2-8-25(12-16-5-3-4-15(9-16)10-22)20(27)23-11-18-14-26-13-17(21)6-7-19(26)24-18/h2-7,9,13-14H,1,8,11-12H2,(H,23,27)
InChIKeyDPUAIXWOCJYGPE-UHFFFAOYSA-N
XLogP3.76
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile
CID 86931108
1-[(3-cyanophenyl)methyl]-3-(2-methoxyethyl)-1-prop-2-enylurea
CID 47471765
1-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-prop-2-enylurea
CID 86864386
4-[[(3-cyanophenyl)methyl-prop-2-enylcarbamoyl]amino]butanoic acid
CID 122021400
3-[(3-cyanophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424158
2-[(4-chlorophenoxy)methyl]-N-[(3-cyanophenyl)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 60599809
1-[(3-cyanophenyl)methyl]-3-[2-(dimethylamino)pyrimidin-5-yl]-1-prop-2-enylurea
CID 84589469
4-[[(3-cyanophenyl)methyl-prop-2-enylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024960
4-(1-cyanocyclopropyl)-N-[(3-cyanophenyl)methyl]-N-prop-2-enylbenzamide
CID 122135391
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
CID 134017959
N-[(3-cyanophenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-prop-2-enylpropanamide
CID 60599963
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea (CID 86864338) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea is C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea?
The InChIKey is DPUAIXWOCJYGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-2-8-25(12-16-5-3-4-15(9-16)10-22)20(27)23-11-18-14-26-13-17(21)6-7-19(26)24-18/h2-7,9,13-14H,1,8,11-12H2,(H,23,27).
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea has a molecular weight of 379.85 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 86864338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).