2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride

C25H25Cl2N3O2 — CID 44535869

IUPAC2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C25H24ClN3O2.ClH/c1-29(2)13-14-31-20-6-3-17(4-7-20)23-16-21(19-5-8-22(26)24(30)15-19)25(28-23)18-9-11-27-12-10-18;/h3-12,15-16,28,30H,13-14H2,1-2H3;1H
InChIKeyABYNBHPZRIEVNU-UHFFFAOYSA-N
MW470.40 g/mol
LogP6.13
Rot. Bonds7

About 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride

2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride (PubChem CID 44535869) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride
PubChem CID44535869
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC Name2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride
SMILESCN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C25H24ClN3O2.ClH/c1-29(2)13-14-31-20-6-3-17(4-7-20)23-16-21(19-5-8-22(26)24(30)15-19)25(28-23)18-9-11-27-12-10-18;/h3-12,15-16,28,30H,13-14H2,1-2H3;1H
InChIKeyABYNBHPZRIEVNU-UHFFFAOYSA-N
XLogP6.13
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride 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-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride?
The IUPAC name of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride (CID 44535869) is 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride.
What is the SMILES notation for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride?
The canonical SMILES for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride is CN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl.
What is the InChIKey of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride?
The InChIKey is ABYNBHPZRIEVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2.ClH/c1-29(2)13-14-31-20-6-3-17(4-7-20)23-16-21(19-5-8-22(26)24(30)15-19)25(28-23)18-9-11-27-12-10-18;/h3-12,15-16,28,30H,13-14H2,1-2H3;1H.
What are the key properties of 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride?
2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride has a molecular weight of 470.40 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-yl-1H-pyrrol-3-yl]phenol;hydrochloride is sourced from PubChem (CID 44535869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).