N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide

C118H123F3N20O8S — CID 159017286

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide
SMILESCCCCN(CCCC)c1cc(C2=Nc3c(cccc3C(=O)Nc3cccc(COC4CCNCC4)c3)C2)ccn1.COc1ccc2nc(NC(=O)c3cccc4c3N=C(c3ccc(N5CCCCC5)nc3)C4)sc2c1.N#Cc1ccc(NC(=O)c2cccc3c2N=C(c2ccc(N4CCCCC4)nc2)C3)cc1C(F)(F)F.O=C(Nc1cccc(COC2CCNCC2)c1)c1cccc2c1N=C(c1ccnc(N3CCOCC3)c1)C2
InChIInChI=1S/C34H43N5O2.C30H33N5O3.C27H22F3N5O.C27H25N5O2S/c1-3-5-19-39(20-6-4-2)32-23-26(13-18-36-32)31-22-27-10-8-12-30(33(27)38-31)34(40)37-28-11-7-9-25(21-28)24-41-29-14-16-35-17-15-29;36-30(33-24-5-1-3-21(17-24)20-38-25-8-10-31-11-9-25)26-6-2-4-23-18-27(34-29(23)26)22-7-12-32-28(19-22)35-13-15-37-16-14-35;28-27(29,30)22-14-20(9-7-18(22)15-31)33-26(36)21-6-4-5-17-13-23(34-25(17)21)19-8-10-24(32-16-19)35-11-2-1-3-12-35;1-34-19-9-10-21-23(15-19)35-27(30-21)31-26(33)20-7-5-6-17-14-22(29-25(17)20)18-8-11-24(28-16-18)32-12-3-2-4-13-32/h7-13,18,21,23,29,35H,3-6,14-17,19-20,22,24H2,1-2H3,(H,37,40);1-7,12,17,19,25,31H,8-11,13-16,18,20H2,(H,33,36);4-10,14,16H,1-3,11-13H2,(H,33,36);5-11,15-16H,2-4,12-14H2,1H3,(H,30,31,33)
InChIKeyJTGFQHLVJCPAPN-UHFFFAOYSA-N
MW2038.47 g/mol
LogP22.31
Rot. Bonds29

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide (PubChem CID 159017286) has the molecular formula C118H123F3N20O8S and a molecular weight of 2038.47 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide
PubChem CID159017286
Molecular FormulaC118H123F3N20O8S
Molecular Weight2038.47 g/mol
Exact Mass2036.95
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide
SMILESCCCCN(CCCC)c1cc(C2=Nc3c(cccc3C(=O)Nc3cccc(COC4CCNCC4)c3)C2)ccn1.COc1ccc2nc(NC(=O)c3cccc4c3N=C(c3ccc(N5CCCCC5)nc3)C4)sc2c1.N#Cc1ccc(NC(=O)c2cccc3c2N=C(c2ccc(N4CCCCC4)nc2)C3)cc1C(F)(F)F.O=C(Nc1cccc(COC2CCNCC2)c1)c1cccc2c1N=C(c1ccnc(N3CCOCC3)c1)C2
InChIInChI=1S/C34H43N5O2.C30H33N5O3.C27H22F3N5O.C27H25N5O2S/c1-3-5-19-39(20-6-4-2)32-23-26(13-18-36-32)31-22-27-10-8-12-30(33(27)38-31)34(40)37-28-11-7-9-25(21-28)24-41-29-14-16-35-17-15-29;36-30(33-24-5-1-3-21(17-24)20-38-25-8-10-31-11-9-25)26-6-2-4-23-18-27(34-29(23)26)22-7-12-32-28(19-22)35-13-15-37-16-14-35;28-27(29,30)22-14-20(9-7-18(22)15-31)33-26(36)21-6-4-5-17-13-23(34-25(17)21)19-8-10-24(32-16-19)35-11-2-1-3-12-35;1-34-19-9-10-21-23(15-19)35-27(30-21)31-26(33)20-7-5-6-17-14-22(29-25(17)20)18-8-11-24(28-16-18)32-12-3-2-4-13-32/h7-13,18,21,23,29,35H,3-6,14-17,19-20,22,24H2,1-2H3,(H,37,40);1-7,12,17,19,25,31H,8-11,13-16,18,20H2,(H,33,36);4-10,14,16H,1-3,11-13H2,(H,33,36);5-11,15-16H,2-4,12-14H2,1H3,(H,30,31,33)
InChIKeyJTGFQHLVJCPAPN-UHFFFAOYSA-N
XLogP22.31
TPSA328.02 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.47
LogP ≤ 522.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide with MolForge

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Related Compounds

2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 159216202
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;N-[2-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3H-indol-6-yl]-3-(piperazin-1-ylmethyl)benzamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide
CID 160309031
2-[2-(difluoromethyl)-5-methylphenyl]-5-morpholin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-(2,4-dimethylphenyl)-5-methoxy-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;methane;2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide
CID 157662725

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide (CID 159017286) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide is CCCCN(CCCC)c1cc(C2=Nc3c(cccc3C(=O)Nc3cccc(COC4CCNCC4)c3)C2)ccn1.COc1ccc2nc(NC(=O)c3cccc4c3N=C(c3ccc(N5CCCCC5)nc3)C4)sc2c1.N#Cc1ccc(NC(=O)c2cccc3c2N=C(c2ccc(N4CCCCC4)nc2)C3)cc1C(F)(F)F.O=C(Nc1cccc(COC2CCNCC2)c1)c1cccc2c1N=C(c1ccnc(N3CCOCC3)c1)C2.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide?
The InChIKey is JTGFQHLVJCPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O2.C30H33N5O3.C27H22F3N5O.C27H25N5O2S/c1-3-5-19-39(20-6-4-2)32-23-26(13-18-36-32)31-22-27-10-8-12-30(33(27)38-31)34(40)37-28-11-7-9-25(21-28)24-41-29-14-16-35-17-15-29;36-30(33-24-5-1-3-21(17-24)20-38-25-8-10-31-11-9-25)26-6-2-4-23-18-27(34-29(23)26)22-7-12-32-28(19-22)35-13-15-37-16-14-35;28-27(29,30)22-14-20(9-7-18(22)15-31)33-26(36)21-6-4-5-17-13-23(34-25(17)21)19-8-10-24(32-16-19)35-11-2-1-3-12-35;1-34-19-9-10-21-23(15-19)35-27(30-21)31-26(33)20-7-5-6-17-14-22(29-25(17)20)18-8-11-24(28-16-18)32-12-3-2-4-13-32/h7-13,18,21,23,29,35H,3-6,14-17,19-20,22,24H2,1-2H3,(H,37,40);1-7,12,17,19,25,31H,8-11,13-16,18,20H2,(H,33,36);4-10,14,16H,1-3,11-13H2,(H,33,36);5-11,15-16H,2-4,12-14H2,1H3,(H,30,31,33).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide has a molecular weight of 2038.47 g/mol, XLogP of 22.31, 29 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 159017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).