1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile

C148H149F2N31 — CID 157098300

IUPAC1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
SMILESC#CCCn1ccc2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.CC1CN(c2cccnc2-c2ccc3ccn(C)c3c2)CCN1c1ccncc1.CCCCn1c(-c2ncccc2N2CCN(c3ccncc3)CC2)cc2ccccc21.Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.N#CCCn1ccc2cc(-c3ncccc3N3CCN(c4ccncc4)CC3)ccc21.c1cnc(-c2cc3ccccc3[nH]2)c(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C26H25N5.C26H29N5.C25H25F2N5.C25H24N6.C24H25N5.C22H21N5/c1-2-3-14-30-15-10-21-6-7-22(20-25(21)30)26-24(5-4-11-28-26)31-18-16-29(17-19-31)23-8-12-27-13-9-23;1-2-3-15-31-23-8-5-4-7-21(23)20-25(31)26-24(9-6-12-28-26)30-18-16-29(17-19-30)22-10-13-27-14-11-22;1-25(26,27)21-16-18-7-11-30(2)23(18)17-20(21)24-22(4-3-8-29-24)32-14-12-31(13-15-32)19-5-9-28-10-6-19;26-9-2-13-30-14-8-20-19-21(4-5-23(20)30)25-24(3-1-10-28-25)31-17-15-29(16-18-31)22-6-11-27-12-7-22;1-18-17-28(14-15-29(18)21-7-11-25-12-8-21)22-4-3-10-26-24(22)20-6-5-19-9-13-27(2)23(19)16-20;1-2-5-19-17(4-1)16-20(25-19)22-21(6-3-9-24-22)27-14-12-26(13-15-27)18-7-10-23-11-8-18/h1,4-13,15,20H,3,14,16-19H2;4-14,20H,2-3,15-19H2,1H3;3-11,16-17H,12-15H2,1-2H3;1,3-8,10-12,14,19H,2,13,15-18H2;3-13,16,18H,14-15,17H2,1-2H3;1-11,16,25H,12-15H2
InChIKeyAFLSJZFNSKTHQO-UHFFFAOYSA-N
MW2400.03 g/mol
LogP27.39
Rot. Bonds26

About 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile

1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile (PubChem CID 157098300) has the molecular formula C148H149F2N31 and a molecular weight of 2400.03 g/mol. Its IUPAC name is 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
PubChem CID157098300
Molecular FormulaC148H149F2N31
Molecular Weight2400.03 g/mol
Exact Mass2398.26
IUPAC Name1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
SMILESC#CCCn1ccc2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.CC1CN(c2cccnc2-c2ccc3ccn(C)c3c2)CCN1c1ccncc1.CCCCn1c(-c2ncccc2N2CCN(c3ccncc3)CC2)cc2ccccc21.Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.N#CCCn1ccc2cc(-c3ncccc3N3CCN(c4ccncc4)CC3)ccc21.c1cnc(-c2cc3ccccc3[nH]2)c(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C26H25N5.C26H29N5.C25H25F2N5.C25H24N6.C24H25N5.C22H21N5/c1-2-3-14-30-15-10-21-6-7-22(20-25(21)30)26-24(5-4-11-28-26)31-18-16-29(17-19-31)23-8-12-27-13-9-23;1-2-3-15-31-23-8-5-4-7-21(23)20-25(31)26-24(9-6-12-28-26)30-18-16-29(17-19-30)22-10-13-27-14-11-22;1-25(26,27)21-16-18-7-11-30(2)23(18)17-20(21)24-22(4-3-8-29-24)32-14-12-31(13-15-32)19-5-9-28-10-6-19;26-9-2-13-30-14-8-20-19-21(4-5-23(20)30)25-24(3-1-10-28-25)31-17-15-29(16-18-31)22-6-11-27-12-7-22;1-18-17-28(14-15-29(18)21-7-11-25-12-8-21)22-4-3-10-26-24(22)20-6-5-19-9-13-27(2)23(19)16-20;1-2-5-19-17(4-1)16-20(25-19)22-21(6-3-9-24-22)27-14-12-26(13-15-27)18-7-10-23-11-8-18/h1,4-13,15,20H,3,14,16-19H2;4-14,20H,2-3,15-19H2,1H3;3-11,16-17H,12-15H2,1-2H3;1,3-8,10-12,14,19H,2,13,15-18H2;3-13,16,18H,14-15,17H2,1-2H3;1-11,16,25H,12-15H2
InChIKeyAFLSJZFNSKTHQO-UHFFFAOYSA-N
XLogP27.39
TPSA257.79 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002400.03
LogP ≤ 527.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?
The IUPAC name of 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile (CID 157098300) is 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?
The canonical SMILES for 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile is C#CCCn1ccc2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.CC1CN(c2cccnc2-c2ccc3ccn(C)c3c2)CCN1c1ccncc1.CCCCn1c(-c2ncccc2N2CCN(c3ccncc3)CC2)cc2ccccc21.Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21.N#CCCn1ccc2cc(-c3ncccc3N3CCN(c4ccncc4)CC3)ccc21.c1cnc(-c2cc3ccccc3[nH]2)c(N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?
The InChIKey is AFLSJZFNSKTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5.C26H29N5.C25H25F2N5.C25H24N6.C24H25N5.C22H21N5/c1-2-3-14-30-15-10-21-6-7-22(20-25(21)30)26-24(5-4-11-28-26)31-18-16-29(17-19-31)23-8-12-27-13-9-23;1-2-3-15-31-23-8-5-4-7-21(23)20-25(31)26-24(9-6-12-28-26)30-18-16-29(17-19-30)22-10-13-27-14-11-22;1-25(26,27)21-16-18-7-11-30(2)23(18)17-20(21)24-22(4-3-8-29-24)32-14-12-31(13-15-32)19-5-9-28-10-6-19;26-9-2-13-30-14-8-20-19-21(4-5-23(20)30)25-24(3-1-10-28-25)31-17-15-29(16-18-31)22-6-11-27-12-7-22;1-18-17-28(14-15-29(18)21-7-11-25-12-8-21)22-4-3-10-26-24(22)20-6-5-19-9-13-27(2)23(19)16-20;1-2-5-19-17(4-1)16-20(25-19)22-21(6-3-9-24-22)27-14-12-26(13-15-27)18-7-10-23-11-8-18/h1,4-13,15,20H,3,14,16-19H2;4-14,20H,2-3,15-19H2,1H3;3-11,16-17H,12-15H2,1-2H3;1,3-8,10-12,14,19H,2,13,15-18H2;3-13,16,18H,14-15,17H2,1-2H3;1-11,16,25H,12-15H2.
What are the key properties of 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile?
1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile has a molecular weight of 2400.03 g/mol, XLogP of 27.39, 26 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 157098300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).