5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline

C25H25ClN4O — CID 95831833

IUPAC5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESClc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1
InChIInChI=1S/C25H25ClN4O/c26-22-7-1-2-9-25(22)31-14-11-20-15-24(29-28-20)19-10-13-30(17-19)16-18-5-3-8-23-21(18)6-4-12-27-23/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,28,29)/t19-/m1/s1
InChIKeyXXIKNKKBVRRXQW-LJQANCHMSA-N
MW432.96 g/mol
LogP5.22
Rot. Bonds7

About 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline

5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline (PubChem CID 95831833) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
PubChem CID95831833
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
SMILESClc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1
InChIInChI=1S/C25H25ClN4O/c26-22-7-1-2-9-25(22)31-14-11-20-15-24(29-28-20)19-10-13-30(17-19)16-18-5-3-8-23-21(18)6-4-12-27-23/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,28,29)/t19-/m1/s1
InChIKeyXXIKNKKBVRRXQW-LJQANCHMSA-N
XLogP5.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-methyl-2,3-dihydroindol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66828944
3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
CID 53322514
5-[[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 95831835
2-[4-[3-[5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
CID 141258107
2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
CID 141258119
2-[4-[3-[3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
CID 141258120
2-[4-[3-[3-chloro-4-(1,3-difluoropropan-2-yloxy)phenyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
CID 141258124
9-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 155151951
({2-[(2-chlorobenzyl)oxy]-7-fluoro-3-quinolinyl}methyl)[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine
CID 28465265
6-[[(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621366
6-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621367
6-[[(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621368

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline (CID 95831833) is 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline is Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1.
What is the InChIKey of 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is XXIKNKKBVRRXQW-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25ClN4O/c26-22-7-1-2-9-25(22)31-14-11-20-15-24(29-28-20)19-10-13-30(17-19)16-18-5-3-8-23-21(18)6-4-12-27-23/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,28,29)/t19-/m1/s1.
What are the key properties of 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline?
5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 432.96 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 95831833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).