[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone

C33H36FN5O2 — CID 177171079

IUPAC[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1nc(C)ccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)cc2cc(C3=CCCNC3)[nH]c12
InChIInChI=1S/C33H36FN5O2/c1-4-28-26(9-7-21(2)36-28)27-17-24(16-23-18-29(37-32(23)27)22-6-5-11-35-20-22)33(40)39-14-12-38(13-15-39)30-10-8-25(34)19-31(30)41-3/h6-10,16-19,35,37H,4-5,11-15,20H2,1-3H3
InChIKeyFGAAHDUXZUSLIX-UHFFFAOYSA-N
MW553.68 g/mol
LogP5.59
Rot. Bonds6

About [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone

[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 177171079) has the molecular formula C33H36FN5O2 and a molecular weight of 553.68 g/mol. Its IUPAC name is [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID177171079
Molecular FormulaC33H36FN5O2
Molecular Weight553.68 g/mol
Exact Mass553.29
IUPAC Name[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1nc(C)ccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)cc2cc(C3=CCCNC3)[nH]c12
InChIInChI=1S/C33H36FN5O2/c1-4-28-26(9-7-21(2)36-28)27-17-24(16-23-18-29(37-32(23)27)22-6-5-11-35-20-22)33(40)39-14-12-38(13-15-39)30-10-8-25(34)19-31(30)41-3/h6-10,16-19,35,37H,4-5,11-15,20H2,1-3H3
InChIKeyFGAAHDUXZUSLIX-UHFFFAOYSA-N
XLogP5.59
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.68
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone 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-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 489662
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 4013695
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
5-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10071413
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10413085
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
6-cyano-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10477871
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 11732785
1-[4-(2-Methoxyphenyl)piperazino]-3-[2-[4-(trifluoromethyl)phenyl]-5-methyl-1H-indole-3-yl]-1-propanone
CID 18669059
1-{3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-oxopropyl}-4-(2-methoxyphenyl)piperazine
CID 18669082
3-[2-(4-Isopropyl-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 18669097

Frequently Asked Questions

What is the IUPAC name of [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone (CID 177171079) is [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone is CCc1nc(C)ccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)cc2cc(C3=CCCNC3)[nH]c12.
What is the InChIKey of [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is FGAAHDUXZUSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O2/c1-4-28-26(9-7-21(2)36-28)27-17-24(16-23-18-29(37-32(23)27)22-6-5-11-35-20-22)33(40)39-14-12-38(13-15-39)30-10-8-25(34)19-31(30)41-3/h6-10,16-19,35,37H,4-5,11-15,20H2,1-3H3.
What are the key properties of [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone?
[7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 553.68 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-ethyl-6-methyl-3-pyridinyl)-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indol-5-yl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 177171079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).