[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C113H109Cl4N21O7 — CID 165099719

IUPAC[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC(=O)c1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1ccc2c(cnn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1
InChIInChI=1S/C21H20ClN3O2.C20H19ClN2O.2C19H18ClN3O.2C17H17N5O/c1-14(26)20-23-18-12-15(21(27)24-10-3-2-4-11-24)8-9-19(18)25(20)17-7-5-6-16(22)13-17;21-17-5-4-6-18(14-17)23-12-9-15-13-16(7-8-19(15)23)20(24)22-10-2-1-3-11-22;20-16-5-4-6-17(12-16)23-18-8-7-14(11-15(18)13-21-23)19(24)22-9-2-1-3-10-22;20-16-5-4-6-17(12-16)23-10-7-14-11-15(13-21-18(14)23)19(24)22-8-2-1-3-9-22;23-17(21-7-2-1-3-8-21)14-10-13-4-9-22(16(13)20-11-14)15-12-18-5-6-19-15;23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h5-9,12-13H,2-4,10-11H2,1H3;4-9,12-14H,1-3,10-11H2;4-8,11-13H,1-3,9-10H2;4-7,10-13H,1-3,8-9H2;4-6,9-12H,1-3,7-8H2;4,7-12H,1-3,5-6H2
InChIKeyYCSSYYSXGGTERL-UHFFFAOYSA-N
MW2015.07 g/mol
LogP22.91
Rot. Bonds13

About [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 165099719) has the molecular formula C113H109Cl4N21O7 and a molecular weight of 2015.07 g/mol. Its IUPAC name is [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID165099719
Molecular FormulaC113H109Cl4N21O7
Molecular Weight2015.07 g/mol
Exact Mass2011.76
IUPAC Name[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC(=O)c1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1ccc2c(cnn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1
InChIInChI=1S/C21H20ClN3O2.C20H19ClN2O.2C19H18ClN3O.2C17H17N5O/c1-14(26)20-23-18-12-15(21(27)24-10-3-2-4-11-24)8-9-19(18)25(20)17-7-5-6-16(22)13-17;21-17-5-4-6-18(14-17)23-12-9-15-13-16(7-8-19(15)23)20(24)22-10-2-1-3-11-22;20-16-5-4-6-17(12-16)23-18-8-7-14(11-15(18)13-21-23)19(24)22-9-2-1-3-10-22;20-16-5-4-6-17(12-16)23-10-7-14-11-15(13-21-18(14)23)19(24)22-8-2-1-3-9-22;23-17(21-7-2-1-3-8-21)14-10-13-4-9-22(16(13)20-11-14)15-12-18-5-6-19-15;23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h5-9,12-13H,2-4,10-11H2,1H3;4-9,12-14H,1-3,10-11H2;4-8,11-13H,1-3,9-10H2;4-7,10-13H,1-3,8-9H2;4-6,9-12H,1-3,7-8H2;4,7-12H,1-3,5-6H2
InChIKeyYCSSYYSXGGTERL-UHFFFAOYSA-N
XLogP22.91
TPSA284.52 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.07
LogP ≤ 522.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;3-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propanoic acid;(4-methylpiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 165081724
piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810735
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[3-chloro-1-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(3-chlorophenyl)-1H-indol-6-yl]-piperidin-1-ylmethanone;(3-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;piperidin-1-yl-[1-(1,3-thiazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167566292
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 167672967
[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 164969812
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
[1-(6-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811222
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 165099719) is [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is CC(=O)c1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1ccc2c(cnn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(Cl)c2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cncnc2)c1)N1CCCCC1.
What is the InChIKey of [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is YCSSYYSXGGTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2.C20H19ClN2O.2C19H18ClN3O.2C17H17N5O/c1-14(26)20-23-18-12-15(21(27)24-10-3-2-4-11-24)8-9-19(18)25(20)17-7-5-6-16(22)13-17;21-17-5-4-6-18(14-17)23-12-9-15-13-16(7-8-19(15)23)20(24)22-10-2-1-3-11-22;20-16-5-4-6-17(12-16)23-18-8-7-14(11-15(18)13-21-23)19(24)22-9-2-1-3-10-22;20-16-5-4-6-17(12-16)23-10-7-14-11-15(13-21-18(14)23)19(24)22-8-2-1-3-9-22;23-17(21-7-2-1-3-8-21)14-10-13-4-9-22(16(13)20-11-14)15-12-18-5-6-19-15;23-17(21-5-2-1-3-6-21)14-8-13-4-7-22(16(13)20-9-14)15-10-18-12-19-11-15/h5-9,12-13H,2-4,10-11H2,1H3;4-9,12-14H,1-3,10-11H2;4-8,11-13H,1-3,9-10H2;4-7,10-13H,1-3,8-9H2;4-6,9-12H,1-3,7-8H2;4,7-12H,1-3,5-6H2.
What are the key properties of [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
[1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 2015.07 g/mol, XLogP of 22.91, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)indazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]ethanone;[1-(3-chlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;piperidin-1-yl-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 165099719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).