(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C25H21N5O2 — CID 98850958

IUPAC(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C25H21N5O2/c31-23(13-6-18-4-11-21(12-5-18)30-16-1-3-24(30)32)27-20-9-7-19(8-10-20)22-17-29-15-2-14-26-25(29)28-22/h2,4-15,17H,1,3,16H2,(H,27,31)/b13-6+
InChIKeyHLAUCYLJCBYHEB-AWNIVKPZSA-N
MW423.48 g/mol
LogP4.18
Rot. Bonds5

About (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 98850958) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID98850958
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C25H21N5O2/c31-23(13-6-18-4-11-21(12-5-18)30-16-1-3-24(30)32)27-20-9-7-19(8-10-20)22-17-29-15-2-14-26-25(29)28-22/h2,4-15,17H,1,3,16H2,(H,27,31)/b13-6+
InChIKeyHLAUCYLJCBYHEB-AWNIVKPZSA-N
XLogP4.18
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.18
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-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
N-[4-(methylsulfanylmethyl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 72685032
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
(E)-N-[4-(diethylamino)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46410099
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46698969
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
(E)-3-[4-(cyanomethoxy)phenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 27838110
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 98850958) is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is HLAUCYLJCBYHEB-AWNIVKPZSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-23(13-6-18-4-11-21(12-5-18)30-16-1-3-24(30)32)27-20-9-7-19(8-10-20)22-17-29-15-2-14-26-25(29)28-22/h2,4-15,17H,1,3,16H2,(H,27,31)/b13-6+.
What are the key properties of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 423.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 98850958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).