1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline

C28H27FN4O — CID 141154876

IUPAC1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline
SMILESFc1cccc(Cn2ncc3cc(N4CC=Cc5c(OC[C@H]6CCCN6)cccc54)ccc32)c1
InChIInChI=1S/C28H27FN4O/c29-22-6-1-5-20(15-22)18-33-26-12-11-24(16-21(26)17-31-33)32-14-4-8-25-27(32)9-2-10-28(25)34-19-23-7-3-13-30-23/h1-2,4-6,8-12,15-17,23,30H,3,7,13-14,18-19H2/t23-/m1/s1
InChIKeyDLZPVVXQWGBQQM-HSZRJFAPSA-N
MW454.55 g/mol
LogP5.52
Rot. Bonds6

About 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline

1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline (PubChem CID 141154876) has the molecular formula C28H27FN4O and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline
PubChem CID141154876
Molecular FormulaC28H27FN4O
Molecular Weight454.55 g/mol
Exact Mass454.22
IUPAC Name1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline
SMILESFc1cccc(Cn2ncc3cc(N4CC=Cc5c(OC[C@H]6CCCN6)cccc54)ccc32)c1
InChIInChI=1S/C28H27FN4O/c29-22-6-1-5-20(15-22)18-33-26-12-11-24(16-21(26)17-31-33)32-14-4-8-25-27(32)9-2-10-28(25)34-19-23-7-3-13-30-23/h1-2,4-6,8-12,15-17,23,30H,3,7,13-14,18-19H2/t23-/m1/s1
InChIKeyDLZPVVXQWGBQQM-HSZRJFAPSA-N
XLogP5.52
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-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

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(piperidin-2-ylmethoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 67411544
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
CID 68947786
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
dimethyl 3-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635647
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
dimethyl 6-amino-5-cyano-1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645312
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-piperazin-1-yl-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 59380369
morpholin-3-ylmethyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;hydrochloride
CID 56603696
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
[(2S,4S)-2-(hydroxymethyl)piperidin-4-yl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 10437387

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline (CID 141154876) is 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline is Fc1cccc(Cn2ncc3cc(N4CC=Cc5c(OC[C@H]6CCCN6)cccc54)ccc32)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline?
The InChIKey is DLZPVVXQWGBQQM-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27FN4O/c29-22-6-1-5-20(15-22)18-33-26-12-11-24(16-21(26)17-31-33)32-14-4-8-25-27(32)9-2-10-28(25)34-19-23-7-3-13-30-23/h1-2,4-6,8-12,15-17,23,30H,3,7,13-14,18-19H2/t23-/m1/s1.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline?
1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline has a molecular weight of 454.55 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline is sourced from PubChem (CID 141154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).