2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C113H136FN23O2 — CID 164976510

IUPAC2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccc(N=[N+]=[N-])c5)CC4)c3)cc2c1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCN(CC4CC4)CC3)CC2)c1
InChIInChI=1S/C30H38N6O.C29H39N5.C27H34FN5O.C27H25N7/c1-22(2)34-14-16-36(17-15-34)30(37)8-11-32-26-9-12-35(13-10-26)27-5-3-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;1-2-7-28-25(4-1)21-29(31-28)24-5-3-6-27(20-24)34-13-10-26(11-14-34)30-12-15-32-16-18-33(19-17-32)22-23-8-9-23;1-31-13-15-33(16-14-31)27(34)7-10-29-23-8-11-32(12-9-23)24-4-2-3-20(18-24)26-19-21-17-22(28)5-6-25(21)30-26;28-17-19-7-8-26-22(13-19)16-27(31-26)21-4-2-6-25(15-21)34-11-9-23(10-12-34)30-18-20-3-1-5-24(14-20)32-33-29/h3-7,18-20,22,26,32-33H,8-17H2,1-2H3;1-7,20-21,23,26,30-31H,8-19,22H2;2-6,17-19,23,29-30H,7-16H2,1H3;1-8,13-16,23,30-31H,9-12,18H2
InChIKeyDWADJKFJWKMRQP-UHFFFAOYSA-N
MW1867.49 g/mol
LogP18.73
Rot. Bonds27

About 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 164976510) has the molecular formula C113H136FN23O2 and a molecular weight of 1867.49 g/mol. Its IUPAC name is 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID164976510
Molecular FormulaC113H136FN23O2
Molecular Weight1867.49 g/mol
Exact Mass1866.12
IUPAC Name2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccc(N=[N+]=[N-])c5)CC4)c3)cc2c1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCN(CC4CC4)CC3)CC2)c1
InChIInChI=1S/C30H38N6O.C29H39N5.C27H34FN5O.C27H25N7/c1-22(2)34-14-16-36(17-15-34)30(37)8-11-32-26-9-12-35(13-10-26)27-5-3-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;1-2-7-28-25(4-1)21-29(31-28)24-5-3-6-27(20-24)34-13-10-26(11-14-34)30-12-15-32-16-18-33(19-17-32)22-23-8-9-23;1-31-13-15-33(16-14-31)27(34)7-10-29-23-8-11-32(12-9-23)24-4-2-3-20(18-24)26-19-21-17-22(28)5-6-25(21)30-26;28-17-19-7-8-26-22(13-19)16-27(31-26)21-4-2-6-25(15-21)34-11-9-23(10-12-34)30-18-20-3-1-5-24(14-20)32-33-29/h3-7,18-20,22,26,32-33H,8-17H2,1-2H3;1-7,20-21,23,26,30-31H,8-19,22H2;2-6,17-19,23,29-30H,7-16H2,1H3;1-8,13-16,23,30-31H,9-12,18H2
InChIKeyDWADJKFJWKMRQP-UHFFFAOYSA-N
XLogP18.73
TPSA274.16 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.49
LogP ≤ 518.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 164976510) is 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccc(N=[N+]=[N-])c5)CC4)c3)cc2c1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCN(CC4CC4)CC3)CC2)c1.
What is the InChIKey of 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is DWADJKFJWKMRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O.C29H39N5.C27H34FN5O.C27H25N7/c1-22(2)34-14-16-36(17-15-34)30(37)8-11-32-26-9-12-35(13-10-26)27-5-3-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;1-2-7-28-25(4-1)21-29(31-28)24-5-3-6-27(20-24)34-13-10-26(11-14-34)30-12-15-32-16-18-33(19-17-32)22-23-8-9-23;1-31-13-15-33(16-14-31)27(34)7-10-29-23-8-11-32(12-9-23)24-4-2-3-20(18-24)26-19-21-17-22(28)5-6-25(21)30-26;28-17-19-7-8-26-22(13-19)16-27(31-26)21-4-2-6-25(15-21)34-11-9-23(10-12-34)30-18-20-3-1-5-24(14-20)32-33-29/h3-7,18-20,22,26,32-33H,8-17H2,1-2H3;1-7,20-21,23,26,30-31H,8-19,22H2;2-6,17-19,23,29-30H,7-16H2,1H3;1-8,13-16,23,30-31H,9-12,18H2.
What are the key properties of 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1867.49 g/mol, XLogP of 18.73, 27 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(3-azidophenyl)methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 164976510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).