[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone

C29H32N4O3 — CID 150422535

IUPAC[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)N5CCNCC5)c4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C29H32N4O3/c1-18(2)27-22-15-19(20-9-10-31-24(16-20)29(34)33-13-11-30-12-14-33)5-7-23(22)32-28(27)21-6-8-25(35-3)26(17-21)36-4/h5-10,15-18,30,32H,11-14H2,1-4H3
InChIKeyHICAZMVLFJHDAW-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.08
Rot. Bonds6

About [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone

[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 150422535) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID150422535
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)N5CCNCC5)c4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C29H32N4O3/c1-18(2)27-22-15-19(20-9-10-31-24(16-20)29(34)33-13-11-30-12-14-33)5-7-23(22)32-28(27)21-6-8-25(35-3)26(17-21)36-4/h5-10,15-18,30,32H,11-14H2,1-4H3
InChIKeyHICAZMVLFJHDAW-UHFFFAOYSA-N
XLogP5.08
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone 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-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester
CID 11168397
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
N-[(3,4-Dimethoxyphenyl)methyl]-3-{1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-YL}propanamide
CID 16019222
(+-)-1,2,8,8a-Tetrahydro-2-((5-methoxy-1H-indol-2-yl)carbonyl)-7-methylcyclopropa(c)pyrrolo(3,2-e)indol-4(5H)-one
CID 149697
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbaldehyde
CID 11350652

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone (CID 150422535) is [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone is COc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)N5CCNCC5)c4)cc3c2C(C)C)cc1OC.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is HICAZMVLFJHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-18(2)27-22-15-19(20-9-10-31-24(16-20)29(34)33-13-11-30-12-14-33)5-7-23(22)32-28(27)21-6-8-25(35-3)26(17-21)36-4/h5-10,15-18,30,32H,11-14H2,1-4H3.
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone?
[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 484.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 150422535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).