(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C23H33N5O — CID 56872838

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC=CCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12
InChIInChI=1S/C23H33N5O/c1-3-12-25(2)18-20-22(24-21-11-7-8-13-28(20)21)23(29)27-16-14-26(15-17-27)19-9-5-4-6-10-19/h3,7-8,11,13,19H,1,4-6,9-10,12,14-18H2,2H3
InChIKeyOWDVRXFLMCIZGP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.04
Rot. Bonds6

About (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 56872838) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID56872838
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESC=CCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12
InChIInChI=1S/C23H33N5O/c1-3-12-25(2)18-20-22(24-21-11-7-8-13-28(20)21)23(29)27-16-14-26(15-17-27)19-9-5-4-6-10-19/h3,7-8,11,13,19H,1,4-6,9-10,12,14-18H2,2H3
InChIKeyOWDVRXFLMCIZGP-UHFFFAOYSA-N
XLogP3.04
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 56872838) is (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is C=CCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is OWDVRXFLMCIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-12-25(2)18-20-22(24-21-11-7-8-13-28(20)21)23(29)27-16-14-26(15-17-27)19-9-5-4-6-10-19/h3,7-8,11,13,19H,1,4-6,9-10,12,14-18H2,2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 56872838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).