3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C98H107N21O5 — CID 158172455

IUPAC3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCn1ccc(CCC(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)n1.O=C(CCc1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cnccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C25H27N5O.C25H26N4O2.C24H28N6O.C24H26N6O/c31-25(7-5-23-3-1-2-11-26-23)29-12-8-19(9-13-29)18-30-14-10-21-15-20(4-6-24(21)30)22-16-27-28-17-22;30-25(18-31-23-4-2-1-3-5-23)28-11-8-19(9-12-28)17-29-13-10-21-14-20(6-7-24(21)29)22-15-26-27-16-22;1-28-10-9-22(27-28)3-5-24(31)29-11-6-18(7-12-29)17-30-13-8-20-14-19(2-4-23(20)30)21-15-25-26-16-21;31-24(4-2-22-16-25-8-9-26-22)29-10-5-18(6-11-29)17-30-12-7-20-13-19(1-3-23(20)30)21-14-27-28-15-21/h1-4,6,10-11,14-17,19H,5,7-9,12-13,18H2,(H,27,28);1-7,10,13-16,19H,8-9,11-12,17-18H2,(H,26,27);2,4,8-10,13-16,18H,3,5-7,11-12,17H2,1H3,(H,25,26);1,3,7-9,12-16,18H,2,4-6,10-11,17H2,(H,27,28)
InChIKeyFXPRPTXQZGFPRL-UHFFFAOYSA-N
MW1659.08 g/mol
LogP15.98
Rot. Bonds24

About 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 158172455) has the molecular formula C98H107N21O5 and a molecular weight of 1659.08 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID158172455
Molecular FormulaC98H107N21O5
Molecular Weight1659.08 g/mol
Exact Mass1657.88
IUPAC Name3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCn1ccc(CCC(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)n1.O=C(CCc1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cnccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C25H27N5O.C25H26N4O2.C24H28N6O.C24H26N6O/c31-25(7-5-23-3-1-2-11-26-23)29-12-8-19(9-13-29)18-30-14-10-21-15-20(4-6-24(21)30)22-16-27-28-17-22;30-25(18-31-23-4-2-1-3-5-23)28-11-8-19(9-12-28)17-29-13-10-21-14-20(6-7-24(21)29)22-15-26-27-16-22;1-28-10-9-22(27-28)3-5-24(31)29-11-6-18(7-12-29)17-30-13-8-20-14-19(2-4-23(20)30)21-15-25-26-16-21;31-24(4-2-22-16-25-8-9-26-22)29-10-5-18(6-11-29)17-30-12-7-20-13-19(1-3-23(20)30)21-14-27-28-15-21/h1-4,6,10-11,14-17,19H,5,7-9,12-13,18H2,(H,27,28);1-7,10,13-16,19H,8-9,11-12,17-18H2,(H,26,27);2,4,8-10,13-16,18H,3,5-7,11-12,17H2,1H3,(H,25,26);1,3,7-9,12-16,18H,2,4-6,10-11,17H2,(H,27,28)
InChIKeyFXPRPTXQZGFPRL-UHFFFAOYSA-N
XLogP15.98
TPSA281.40 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.08
LogP ≤ 515.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137038288
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137038381
N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113987
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137113997
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137114144
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137117090
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137313212
5-(5-amino-3-pyridinyl)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-N-[2-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenoxy]ethyl]-N-methylindazol-1-amine
CID 145252588
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 154514488
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157061672

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 158172455) is 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is Cn1ccc(CCC(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)n1.O=C(CCc1ccccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1cnccn1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(COc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is FXPRPTXQZGFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.C25H26N4O2.C24H28N6O.C24H26N6O/c31-25(7-5-23-3-1-2-11-26-23)29-12-8-19(9-13-29)18-30-14-10-21-15-20(4-6-24(21)30)22-16-27-28-17-22;30-25(18-31-23-4-2-1-3-5-23)28-11-8-19(9-12-28)17-29-13-10-21-14-20(6-7-24(21)29)22-15-26-27-16-22;1-28-10-9-22(27-28)3-5-24(31)29-11-6-18(7-12-29)17-30-13-8-20-14-19(2-4-23(20)30)21-15-25-26-16-21;31-24(4-2-22-16-25-8-9-26-22)29-10-5-18(6-11-29)17-30-12-7-20-13-19(1-3-23(20)30)21-14-27-28-15-21/h1-4,6,10-11,14-17,19H,5,7-9,12-13,18H2,(H,27,28);1-7,10,13-16,19H,8-9,11-12,17-18H2,(H,26,27);2,4,8-10,13-16,18H,3,5-7,11-12,17H2,1H3,(H,25,26);1,3,7-9,12-16,18H,2,4-6,10-11,17H2,(H,27,28).
What are the key properties of 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 1659.08 g/mol, XLogP of 15.98, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;2-phenoxy-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]ethanone;3-pyrazin-2-yl-1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 158172455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).