1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene

C46H75F3N8 — CID 166144823

IUPAC1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene
SMILESC=C(C)C.C=CCCCCCC.CC(N)c1ncc(N2CCN(C3CC3)CC2)cc1-c1c(CC(C)(C)C)c2cc(N3CCCCC3)ccc2n1CC(F)(F)F.NN
InChIInChI=1S/C34H47F3N6.C8H16.C4H8.H4N2/c1-23(38)31-28(19-26(21-39-31)42-16-14-41(15-17-42)24-8-9-24)32-29(20-33(2,3)4)27-18-25(40-12-6-5-7-13-40)10-11-30(27)43(32)22-34(35,36)37;1-3-5-7-8-6-4-2;1-4(2)3;1-2/h10-11,18-19,21,23-24H,5-9,12-17,20,22,38H2,1-4H3;3H,1,4-8H2,2H3;1H2,2-3H3;1-2H2
InChIKeyDCRRHWZTHFGCKU-UHFFFAOYSA-N
MW797.16 g/mol
LogP10.69
Rot. Bonds12

About 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene

1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene (PubChem CID 166144823) has the molecular formula C46H75F3N8 and a molecular weight of 797.16 g/mol. Its IUPAC name is 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene.

Molecular Properties

Compound Name1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene
PubChem CID166144823
Molecular FormulaC46H75F3N8
Molecular Weight797.16 g/mol
Exact Mass796.61
IUPAC Name1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene
SMILESC=C(C)C.C=CCCCCCC.CC(N)c1ncc(N2CCN(C3CC3)CC2)cc1-c1c(CC(C)(C)C)c2cc(N3CCCCC3)ccc2n1CC(F)(F)F.NN
InChIInChI=1S/C34H47F3N6.C8H16.C4H8.H4N2/c1-23(38)31-28(19-26(21-39-31)42-16-14-41(15-17-42)24-8-9-24)32-29(20-33(2,3)4)27-18-25(40-12-6-5-7-13-40)10-11-30(27)43(32)22-34(35,36)37;1-3-5-7-8-6-4-2;1-4(2)3;1-2/h10-11,18-19,21,23-24H,5-9,12-17,20,22,38H2,1-4H3;3H,1,4-8H2,2H3;1H2,2-3H3;1-2H2
InChIKeyDCRRHWZTHFGCKU-UHFFFAOYSA-N
XLogP10.69
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.16
LogP ≤ 510.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene?
The IUPAC name of 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene (CID 166144823) is 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene.
What is the SMILES notation for 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene?
The canonical SMILES for 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene is C=C(C)C.C=CCCCCCC.CC(N)c1ncc(N2CCN(C3CC3)CC2)cc1-c1c(CC(C)(C)C)c2cc(N3CCCCC3)ccc2n1CC(F)(F)F.NN.
What is the InChIKey of 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene?
The InChIKey is DCRRHWZTHFGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47F3N6.C8H16.C4H8.H4N2/c1-23(38)31-28(19-26(21-39-31)42-16-14-41(15-17-42)24-8-9-24)32-29(20-33(2,3)4)27-18-25(40-12-6-5-7-13-40)10-11-30(27)43(32)22-34(35,36)37;1-3-5-7-8-6-4-2;1-4(2)3;1-2/h10-11,18-19,21,23-24H,5-9,12-17,20,22,38H2,1-4H3;3H,1,4-8H2,2H3;1H2,2-3H3;1-2H2.
What are the key properties of 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene?
1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene has a molecular weight of 797.16 g/mol, XLogP of 10.69, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropylpiperazin-1-yl)-3-[3-(2,2-dimethylpropyl)-5-piperidin-1-yl-1-(2,2,2-trifluoroethyl)indol-2-yl]-2-pyridinyl]ethanamine;hydrazine;2-methylprop-1-ene;oct-1-ene is sourced from PubChem (CID 166144823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).