1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone

C31H38N6O2 — CID 57402472

IUPAC1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1
InChIInChI=1S/C31H38N6O2/c1-34(16-20-37(30-9-5-6-14-32-30)24-25-10-12-27(39-2)13-11-25)15-17-35-18-21-36(22-19-35)31(38)29-23-26-7-3-4-8-28(26)33-29/h3-14,23,33H,15-22,24H2,1-2H3
InChIKeyXUSZWVLIKIUVKA-UHFFFAOYSA-N
MW526.69 g/mol
LogP3.97
Rot. Bonds11

About 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone

1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone (PubChem CID 57402472) has the molecular formula C31H38N6O2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
PubChem CID57402472
Molecular FormulaC31H38N6O2
Molecular Weight526.69 g/mol
Exact Mass526.31
IUPAC Name1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1
InChIInChI=1S/C31H38N6O2/c1-34(16-20-37(30-9-5-6-14-32-30)24-25-10-12-27(39-2)13-11-25)15-17-35-18-21-36(22-19-35)31(38)29-23-26-7-3-4-8-28(26)33-29/h3-14,23,33H,15-22,24H2,1-2H3
InChIKeyXUSZWVLIKIUVKA-UHFFFAOYSA-N
XLogP3.97
TPSA67.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 141331067
1H-indol-2-yl-[7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 118756230
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
CID 71946896

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone (CID 57402472) is 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone is COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1.
What is the InChIKey of 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone?
The InChIKey is XUSZWVLIKIUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2/c1-34(16-20-37(30-9-5-6-14-32-30)24-25-10-12-27(39-2)13-11-25)15-17-35-18-21-36(22-19-35)31(38)29-23-26-7-3-4-8-28(26)33-29/h3-14,23,33H,15-22,24H2,1-2H3.
What are the key properties of 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone?
1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone has a molecular weight of 526.69 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57402472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).