2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

C24H19ClN4O3 — CID 11719279

IUPAC2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESO=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2)n2ccnc12
InChIInChI=1S/C24H19ClN4O3/c25-23-19(15-22(31)32)24-26-12-13-29(24)20(28-23)14-17-6-9-18(10-7-17)27-21(30)11-8-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,27,30)(H,31,32)/b11-8+
InChIKeyYWPDTUDVAQMTCU-DHZHZOJOSA-N
MW446.89 g/mol
LogP4.25
Rot. Bonds7

About 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (PubChem CID 11719279) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
PubChem CID11719279
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESO=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2)n2ccnc12
InChIInChI=1S/C24H19ClN4O3/c25-23-19(15-22(31)32)24-26-12-13-29(24)20(28-23)14-17-6-9-18(10-7-17)27-21(30)11-8-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,27,30)(H,31,32)/b11-8+
InChIKeyYWPDTUDVAQMTCU-DHZHZOJOSA-N
XLogP4.25
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The IUPAC name of 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (CID 11719279) is 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2)n2ccnc12.
What is the InChIKey of 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The InChIKey is YWPDTUDVAQMTCU-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-23-19(15-22(31)32)24-26-12-13-29(24)20(28-23)14-17-6-9-18(10-7-17)27-21(30)11-8-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,27,30)(H,31,32)/b11-8+.
What are the key properties of 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid has a molecular weight of 446.89 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-5-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is sourced from PubChem (CID 11719279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).