(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

C16H18ClN3O2 — CID 111331161

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(O)CCCC1
InChIInChI=1S/C16H18ClN3O2/c17-15-12(20-10-4-1-5-13(20)19-15)6-7-14(21)18-11-16(22)8-2-3-9-16/h1,4-7,10,22H,2-3,8-9,11H2,(H,18,21)/b7-6+
InChIKeyMTZPBABVRZKJPY-VOTSOKGWSA-N
MW319.79 g/mol
LogP2.42
Rot. Bonds4

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 111331161) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID111331161
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(O)CCCC1
InChIInChI=1S/C16H18ClN3O2/c17-15-12(20-10-4-1-5-13(20)19-15)6-7-14(21)18-11-16(22)8-2-3-9-16/h1,4-7,10,22H,2-3,8-9,11H2,(H,18,21)/b7-6+
InChIKeyMTZPBABVRZKJPY-VOTSOKGWSA-N
XLogP2.42
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (CID 111331161) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(O)CCCC1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is MTZPBABVRZKJPY-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-15-12(20-10-4-1-5-13(20)19-15)6-7-14(21)18-11-16(22)8-2-3-9-16/h1,4-7,10,22H,2-3,8-9,11H2,(H,18,21)/b7-6+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 319.79 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 111331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).