(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

C23H24BrClN4O — CID 57494740

IUPAC(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(Cl)c(Br)c2)nn2c(NC3CCCC3)cccc12
InChIInChI=1S/C23H24BrClN4O/c1-28(2)13-12-20(30)22-19-8-5-9-21(26-16-6-3-4-7-16)29(19)27-23(22)15-10-11-18(25)17(24)14-15/h5,8-14,16,26H,3-4,6-7H2,1-2H3/b13-12+
InChIKeyJBRLWUNBLVMLAD-OUKQBFOZSA-N
MW487.83 g/mol
LogP6.03
Rot. Bonds6

About (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 57494740) has the molecular formula C23H24BrClN4O and a molecular weight of 487.83 g/mol. Its IUPAC name is (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID57494740
Molecular FormulaC23H24BrClN4O
Molecular Weight487.83 g/mol
Exact Mass486.08
IUPAC Name(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(Cl)c(Br)c2)nn2c(NC3CCCC3)cccc12
InChIInChI=1S/C23H24BrClN4O/c1-28(2)13-12-20(30)22-19-8-5-9-21(26-16-6-3-4-7-16)29(19)27-23(22)15-10-11-18(25)17(24)14-15/h5,8-14,16,26H,3-4,6-7H2,1-2H3/b13-12+
InChIKeyJBRLWUNBLVMLAD-OUKQBFOZSA-N
XLogP6.03
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one 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 (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (CID 57494740) is (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)c1c(-c2ccc(Cl)c(Br)c2)nn2c(NC3CCCC3)cccc12.
What is the InChIKey of (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is JBRLWUNBLVMLAD-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H24BrClN4O/c1-28(2)13-12-20(30)22-19-8-5-9-21(26-16-6-3-4-7-16)29(19)27-23(22)15-10-11-18(25)17(24)14-15/h5,8-14,16,26H,3-4,6-7H2,1-2H3/b13-12+.
What are the key properties of (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
(E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 487.83 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(3-bromo-4-chlorophenyl)-7-(cyclopentylamino)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 57494740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).