(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

C15H14ClN5O — CID 166214968

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1
InChIInChI=1S/C15H14ClN5O/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22)/b5-4+
InChIKeyNUHJCOWKPKGSTM-SNAWJCMRSA-N
MW315.76 g/mol
LogP2.08
Rot. Bonds5

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (PubChem CID 166214968) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
PubChem CID166214968
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1
InChIInChI=1S/C15H14ClN5O/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22)/b5-4+
InChIKeyNUHJCOWKPKGSTM-SNAWJCMRSA-N
XLogP2.08
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.08
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-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 166214967
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 84983901
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]prop-2-enamide
CID 55710802
(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
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
(E)-3-(2-bromophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115649635
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 102603310
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopentylprop-2-enamide
CID 9214004

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide (CID 166214968) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is NUHJCOWKPKGSTM-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22)/b5-4+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 315.76 g/mol, XLogP of 2.08, 5 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-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166214968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).