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

C19H15ClN4O — CID 43000969

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12)c1ccccc1
InChIInChI=1S/C19H15ClN4O/c1-13(14-7-3-2-4-8-14)22-19(25)15(12-21)11-16-18(20)23-17-9-5-6-10-24(16)17/h2-11,13H,1H3,(H,22,25)/b15-11+
InChIKeyCOQYELGKHXHCRF-RVDMUPIBSA-N
MW350.81 g/mol
LogP3.77
Rot. Bonds4

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide (PubChem CID 43000969) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
PubChem CID43000969
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12)c1ccccc1
InChIInChI=1S/C19H15ClN4O/c1-13(14-7-3-2-4-8-14)22-19(25)15(12-21)11-16-18(20)23-17-9-5-6-10-24(16)17/h2-11,13H,1H3,(H,22,25)/b15-11+
InChIKeyCOQYELGKHXHCRF-RVDMUPIBSA-N
XLogP3.77
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 8861671
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
2-cyano-3-(6-methyl-2-pyridinyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 66990023
(Z)-2-cyano-3-(2,3-dichlorophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 132761154
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9410017
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
(Z)-2-cyano-3-(2-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 94841508
(Z)-2-cyano-3-(5-methylthiophen-2-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17384793
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901
2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 6710706

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide (CID 43000969) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide is CC(NC(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12)c1ccccc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is COQYELGKHXHCRF-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-13(14-7-3-2-4-8-14)22-19(25)15(12-21)11-16-18(20)23-17-9-5-6-10-24(16)17/h2-11,13H,1H3,(H,22,25)/b15-11+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 350.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 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)-2-cyano-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 43000969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).