(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

C21H27ClN4O2 — CID 37259602

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H27ClN4O2/c22-20-17(26-11-5-2-6-18(26)24-20)7-8-19(27)23-16-21(9-3-1-4-10-21)25-12-14-28-15-13-25/h2,5-8,11H,1,3-4,9-10,12-16H2,(H,23,27)/b8-7+
InChIKeyIKSBAHYHCCECFU-BQYQJAHWSA-N
MW402.93 g/mol
LogP3.15
Rot. Bonds5

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (PubChem CID 37259602) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
PubChem CID37259602
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H27ClN4O2/c22-20-17(26-11-5-2-6-18(26)24-20)7-8-19(27)23-16-21(9-3-1-4-10-21)25-12-14-28-15-13-25/h2,5-8,11H,1,3-4,9-10,12-16H2,(H,23,27)/b8-7+
InChIKeyIKSBAHYHCCECFU-BQYQJAHWSA-N
XLogP3.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
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-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
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
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (CID 37259602) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The InChIKey is IKSBAHYHCCECFU-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c22-20-17(26-11-5-2-6-18(26)24-20)7-8-19(27)23-16-21(9-3-1-4-10-21)25-12-14-28-15-13-25/h2,5-8,11H,1,3-4,9-10,12-16H2,(H,23,27)/b8-7+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide has a molecular weight of 402.93 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 37259602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).