1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone

C55H67N11O5Si — CID 158072886

IUPAC1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc32)CC1.CC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc32)CC1
InChIInChI=1S/C30H40N6O3Si.C25H27N5O2/c1-24(37)34-16-13-33(14-17-34)15-18-35-12-10-25-21-27(6-7-28(25)35)39-30-8-5-26(22-31-30)29-9-11-32-36(29)23-38-19-20-40(2,3)4;1-19(31)29-13-10-28(11-14-29)12-15-30-9-7-20-16-23(3-4-24(20)30)32-25-5-2-21(18-27-25)22-6-8-26-17-22/h5-12,21-22H,13-20,23H2,1-4H3;2-9,16,18H,10-15,17H2,1H3
InChIKeyFMAGDDNLLVCLRF-UHFFFAOYSA-N
MW990.30 g/mol
LogP8.63
Rot. Bonds17

About 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 158072886) has the molecular formula C55H67N11O5Si and a molecular weight of 990.30 g/mol. Its IUPAC name is 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID158072886
Molecular FormulaC55H67N11O5Si
Molecular Weight990.30 g/mol
Exact Mass989.51
IUPAC Name1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc32)CC1.CC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc32)CC1
InChIInChI=1S/C30H40N6O3Si.C25H27N5O2/c1-24(37)34-16-13-33(14-17-34)15-18-35-12-10-25-21-27(6-7-28(25)35)39-30-8-5-26(22-31-30)29-9-11-32-36(29)23-38-19-20-40(2,3)4;1-19(31)29-13-10-28(11-14-29)12-15-30-9-7-20-16-23(3-4-24(20)30)32-25-5-2-21(18-27-25)22-6-8-26-17-22/h5-12,21-22H,13-20,23H2,1-4H3;2-9,16,18H,10-15,17H2,1H3
InChIKeyFMAGDDNLLVCLRF-UHFFFAOYSA-N
XLogP8.63
TPSA140.61 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.30
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone 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

2-(5-Methoxyindol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53601528
2-(5-Methoxyindol-1-yl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56824979
(E)-1-[(3R)-3-[3-(3-fluoro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]-3-[3-fluoro-5-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenoxy]phenyl]prop-2-en-1-one
CID 146616475
Benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 165136498
tert-butyl 4-[4-[5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 177310834
4-[4-[5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
CID 177310840
4-(5-Methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25206789
4-(5-Methoxy-1-methylindol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride
CID 66719157
1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indazol-1-yl]ethyl]piperazin-1-yl]ethanone
CID 72948216
1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
CID 72948594
1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
CID 72949844
tert-butyl 2-[(1E,3E)-4-[formyl(2-trimethylsilylethoxymethyl)amino]-3-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]buta-1,3-dienyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate
CID 88983471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone (CID 158072886) is 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc32)CC1.CC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc32)CC1.
What is the InChIKey of 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is FMAGDDNLLVCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O3Si.C25H27N5O2/c1-24(37)34-16-13-33(14-17-34)15-18-35-12-10-25-21-27(6-7-28(25)35)39-30-8-5-26(22-31-30)29-9-11-32-36(29)23-38-19-20-40(2,3)4;1-19(31)29-13-10-28(11-14-29)12-15-30-9-7-20-16-23(3-4-24(20)30)32-25-5-2-21(18-27-25)22-6-8-26-17-22/h5-12,21-22H,13-20,23H2,1-4H3;2-9,16,18H,10-15,17H2,1H3.
What are the key properties of 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 990.30 g/mol, XLogP of 8.63, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone;1-[4-[2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158072886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).