(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'}

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602
1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 75532233
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 76863470
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
CID 84985160
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661

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).