2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde

C50H60Br3FN8O5 — CID 158799742

IUPAC2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde
SMILESBrc1cccc(Br)n1.CC(C)Oc1cccc(Br)n1.CC(C)Oc1cccc(C=O)n1.CC(C)Oc1cccc(CN2CCC3(CC2)/C(=N/C2CCCCC2)NC(=O)N3c2cccc(F)c2)n1
InChIInChI=1S/C28H36FN5O2.C9H11NO2.C8H10BrNO.C5H3Br2N/c1-20(2)36-25-13-7-11-23(30-25)19-33-16-14-28(15-17-33)26(31-22-9-4-3-5-10-22)32-27(35)34(28)24-12-6-8-21(29)18-24;1-7(2)12-9-5-3-4-8(6-11)10-9;1-6(2)11-8-5-3-4-7(9)10-8;6-4-2-1-3-5(7)8-4/h6-8,11-13,18,20,22H,3-5,9-10,14-17,19H2,1-2H3,(H,31,32,35);3-7H,1-2H3;3-6H,1-2H3;1-3H
InChIKeyITIGEJJGRPEAFF-UHFFFAOYSA-N
MW1111.79 g/mol
LogP12.22
Rot. Bonds11

About 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde

2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde (PubChem CID 158799742) has the molecular formula C50H60Br3FN8O5 and a molecular weight of 1111.79 g/mol. Its IUPAC name is 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde
PubChem CID158799742
Molecular FormulaC50H60Br3FN8O5
Molecular Weight1111.79 g/mol
Exact Mass1108.22
IUPAC Name2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde
SMILESBrc1cccc(Br)n1.CC(C)Oc1cccc(Br)n1.CC(C)Oc1cccc(C=O)n1.CC(C)Oc1cccc(CN2CCC3(CC2)/C(=N/C2CCCCC2)NC(=O)N3c2cccc(F)c2)n1
InChIInChI=1S/C28H36FN5O2.C9H11NO2.C8H10BrNO.C5H3Br2N/c1-20(2)36-25-13-7-11-23(30-25)19-33-16-14-28(15-17-33)26(31-22-9-4-3-5-10-22)32-27(35)34(28)24-12-6-8-21(29)18-24;1-7(2)12-9-5-3-4-8(6-11)10-9;1-6(2)11-8-5-3-4-7(9)10-8;6-4-2-1-3-5(7)8-4/h6-8,11-13,18,20,22H,3-5,9-10,14-17,19H2,1-2H3,(H,31,32,35);3-7H,1-2H3;3-6H,1-2H3;1-3H
InChIKeyITIGEJJGRPEAFF-UHFFFAOYSA-N
XLogP12.22
TPSA144.26 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.79
LogP ≤ 512.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde 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 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde?
The IUPAC name of 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde (CID 158799742) is 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde.
What is the SMILES notation for 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde?
The canonical SMILES for 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde is Brc1cccc(Br)n1.CC(C)Oc1cccc(Br)n1.CC(C)Oc1cccc(C=O)n1.CC(C)Oc1cccc(CN2CCC3(CC2)/C(=N/C2CCCCC2)NC(=O)N3c2cccc(F)c2)n1.
What is the InChIKey of 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde?
The InChIKey is ITIGEJJGRPEAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O2.C9H11NO2.C8H10BrNO.C5H3Br2N/c1-20(2)36-25-13-7-11-23(30-25)19-33-16-14-28(15-17-33)26(31-22-9-4-3-5-10-22)32-27(35)34(28)24-12-6-8-21(29)18-24;1-7(2)12-9-5-3-4-8(6-11)10-9;1-6(2)11-8-5-3-4-7(9)10-8;6-4-2-1-3-5(7)8-4/h6-8,11-13,18,20,22H,3-5,9-10,14-17,19H2,1-2H3,(H,31,32,35);3-7H,1-2H3;3-6H,1-2H3;1-3H.
What are the key properties of 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde?
2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde has a molecular weight of 1111.79 g/mol, XLogP of 12.22, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde is sourced from PubChem (CID 158799742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).