1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine

C22H24FN3O — CID 134347849

IUPAC1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
SMILESFc1ccc(-n2cc(C3CCNCC3)c3ccncc32)c(OCC2CC2)c1
InChIInChI=1S/C22H24FN3O/c23-17-3-4-20(22(11-17)27-14-15-1-2-15)26-13-19(16-5-8-24-9-6-16)18-7-10-25-12-21(18)26/h3-4,7,10-13,15-16,24H,1-2,5-6,8-9,14H2
InChIKeyXSNCUFFHSSNLGO-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.42
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine

1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine (PubChem CID 134347849) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
PubChem CID134347849
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
SMILESFc1ccc(-n2cc(C3CCNCC3)c3ccncc32)c(OCC2CC2)c1
InChIInChI=1S/C22H24FN3O/c23-17-3-4-20(22(11-17)27-14-15-1-2-15)26-13-19(16-5-8-24-9-6-16)18-7-10-25-12-21(18)26/h3-4,7,10-13,15-16,24H,1-2,5-6,8-9,14H2
InChIKeyXSNCUFFHSSNLGO-UHFFFAOYSA-N
XLogP4.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine 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-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
CID 155517162
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
3-[(2S)-2-amino-3-{[5-(4-fluorophenyl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 10193747
3-(1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)propan-1-amine
CID 9865576
N-((4-benzyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)-3-(1H-indol-3-yl)propan-1-amine
CID 9909555
2-((4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)methyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine
CID 9928161
5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-cyclohexyl}-1H-indole
CID 10158326
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 10451368
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11558912
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine
CID 11616595
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11659585

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine (CID 134347849) is 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine is Fc1ccc(-n2cc(C3CCNCC3)c3ccncc32)c(OCC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
The InChIKey is XSNCUFFHSSNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-17-3-4-20(22(11-17)27-14-15-1-2-15)26-13-19(16-5-8-24-9-6-16)18-7-10-25-12-21(18)26/h3-4,7,10-13,15-16,24H,1-2,5-6,8-9,14H2.
What are the key properties of 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine?
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine has a molecular weight of 365.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 134347849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).