1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile

C128H147Cl9N24O2 — CID 159003847

IUPAC1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)C4CCCCN4)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCC(N4CCCCC4)CC3)cc21.Cc1ccc(C(C)n2nc(C#N)c3ccc(N4CCC(N5CCCC(CO)C5)CC4)cc32)c(Cl)c1.N#Cc1cc(N2CCC(N3CCCCC3)CC2)cc2c1cnn2Cc1ccc(Cl)cc1Cl.N#Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(N3CCC(N4CCCCC4)CC3)ccc12
InChIInChI=1S/C28H34ClN5O.C25H29Cl2N5O.2C25H27Cl2N5.C25H30Cl2N4/c1-19-5-7-24(26(29)14-19)20(2)34-28-15-23(6-8-25(28)27(16-30)31-34)32-12-9-22(10-13-32)33-11-3-4-21(17-33)18-35;1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-19(13-24(22)32)31-11-9-18(14-31)30-25(33)23-4-2-3-10-28-23;26-20-5-4-18(24(27)13-20)17-32-25-14-22(12-19(15-28)23(25)16-29-32)31-10-6-21(7-11-31)30-8-2-1-3-9-30;26-19-5-4-18(23(27)14-19)17-32-25-15-21(6-7-22(25)24(16-28)29-32)31-12-8-20(9-13-31)30-10-2-1-3-11-30;1-18(23-8-6-20(26)15-24(23)27)31-25-16-22(7-5-19(25)17-28-31)30-13-9-21(10-14-30)29-11-3-2-4-12-29/h5-8,14-15,20-22,35H,3-4,9-13,17-18H2,1-2H3;5-8,12-13,15-16,18,23,28H,2-4,9-11,14H2,1H3,(H,30,33);4-5,12-14,16,21H,1-3,6-11,17H2;4-7,14-15,20H,1-3,8-13,17H2;5-8,15-18,21H,2-4,9-14H2,1H3
InChIKeyJRRCOZRUBKISGH-UHFFFAOYSA-N
MW2372.83 g/mol
LogP27.78
Rot. Bonds22

About 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile

1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile (PubChem CID 159003847) has the molecular formula C128H147Cl9N24O2 and a molecular weight of 2372.83 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile
PubChem CID159003847
Molecular FormulaC128H147Cl9N24O2
Molecular Weight2372.83 g/mol
Exact Mass2366.93
IUPAC Name1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)C4CCCCN4)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCC(N4CCCCC4)CC3)cc21.Cc1ccc(C(C)n2nc(C#N)c3ccc(N4CCC(N5CCCC(CO)C5)CC4)cc32)c(Cl)c1.N#Cc1cc(N2CCC(N3CCCCC3)CC2)cc2c1cnn2Cc1ccc(Cl)cc1Cl.N#Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(N3CCC(N4CCCCC4)CC3)ccc12
InChIInChI=1S/C28H34ClN5O.C25H29Cl2N5O.2C25H27Cl2N5.C25H30Cl2N4/c1-19-5-7-24(26(29)14-19)20(2)34-28-15-23(6-8-25(28)27(16-30)31-34)32-12-9-22(10-13-32)33-11-3-4-21(17-33)18-35;1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-19(13-24(22)32)31-11-9-18(14-31)30-25(33)23-4-2-3-10-28-23;26-20-5-4-18(24(27)13-20)17-32-25-14-22(12-19(15-28)23(25)16-29-32)31-10-6-21(7-11-31)30-8-2-1-3-9-30;26-19-5-4-18(23(27)14-19)17-32-25-15-21(6-7-22(25)24(16-28)29-32)31-12-8-20(9-13-31)30-10-2-1-3-11-30;1-18(23-8-6-20(26)15-24(23)27)31-25-16-22(7-5-19(25)17-28-31)30-13-9-21(10-14-30)29-11-3-2-4-12-29/h5-8,14-15,20-22,35H,3-4,9-13,17-18H2,1-2H3;5-8,12-13,15-16,18,23,28H,2-4,9-11,14H2,1H3,(H,30,33);4-5,12-14,16,21H,1-3,6-11,17H2;4-7,14-15,20H,1-3,8-13,17H2;5-8,15-18,21H,2-4,9-14H2,1H3
InChIKeyJRRCOZRUBKISGH-UHFFFAOYSA-N
XLogP27.78
TPSA250.99 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.83
LogP ≤ 527.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile with MolForge

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Related Compounds

(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 130444870
1-[(2-chloro-4-methylphenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile
CID 130444802
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
CID 134324903
[(2R)-2-amino-4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 130444756
N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
CID 130444885
(3-aminopiperidin-1-yl)-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperidin-4-yl]methanone
CID 78120696
[(2S)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 123302205
[(2R)-4-[3-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490884
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole
CID 174731393
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-(hydroxymethyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 130444861
2-[1-[(3R,4S)-1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]piperidin-3-yl]acetic acid
CID 134341266
2-[(3S)-1-[(3R,4S)-1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3-methylpiperidin-4-yl]piperidin-3-yl]acetic acid
CID 134325031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile?
The IUPAC name of 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile (CID 159003847) is 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile?
The canonical SMILES for 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile is CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(N3CCC(NC(=O)C4CCCCN4)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCC(N4CCCCC4)CC3)cc21.Cc1ccc(C(C)n2nc(C#N)c3ccc(N4CCC(N5CCCC(CO)C5)CC4)cc32)c(Cl)c1.N#Cc1cc(N2CCC(N3CCCCC3)CC2)cc2c1cnn2Cc1ccc(Cl)cc1Cl.N#Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(N3CCC(N4CCCCC4)CC3)ccc12.
What is the InChIKey of 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile?
The InChIKey is JRRCOZRUBKISGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O.C25H29Cl2N5O.2C25H27Cl2N5.C25H30Cl2N4/c1-19-5-7-24(26(29)14-19)20(2)34-28-15-23(6-8-25(28)27(16-30)31-34)32-12-9-22(10-13-32)33-11-3-4-21(17-33)18-35;1-16(20-7-5-17(26)12-21(20)27)32-15-29-22-8-6-19(13-24(22)32)31-11-9-18(14-31)30-25(33)23-4-2-3-10-28-23;26-20-5-4-18(24(27)13-20)17-32-25-14-22(12-19(15-28)23(25)16-29-32)31-10-6-21(7-11-31)30-8-2-1-3-9-30;26-19-5-4-18(23(27)14-19)17-32-25-15-21(6-7-22(25)24(16-28)29-32)31-12-8-20(9-13-31)30-10-2-1-3-11-30;1-18(23-8-6-20(26)15-24(23)27)31-25-16-22(7-5-19(25)17-28-31)30-13-9-21(10-14-30)29-11-3-2-4-12-29/h5-8,14-15,20-22,35H,3-4,9-13,17-18H2,1-2H3;5-8,12-13,15-16,18,23,28H,2-4,9-11,14H2,1H3,(H,30,33);4-5,12-14,16,21H,1-3,6-11,17H2;4-7,14-15,20H,1-3,8-13,17H2;5-8,15-18,21H,2-4,9-14H2,1H3.
What are the key properties of 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile?
1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile has a molecular weight of 2372.83 g/mol, XLogP of 27.78, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-methylphenyl)ethyl]-6-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]indazole-3-carbonitrile;N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]piperidine-2-carboxamide;1-[1-(2,4-dichlorophenyl)ethyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-3-carbonitrile;1-[(2,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)indazole-4-carbonitrile is sourced from PubChem (CID 159003847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).