cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene

C67H107F2N13O6 — CID 171627651

About cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene

cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene (PubChem CID 171627651) has the molecular formula C67H107F2N13O6 and a molecular weight of 1228.67 g/mol. Its IUPAC name is cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 171627651
• Molecular Formula: C67H107F2N13O6
• Molecular Weight: 1228.67 g/mol
• Exact Mass: 1227.84
• IUPAC Name: cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene
• SMILES: C1CCCCC1.CNC(=O)COC1CC2CN(CCCNc3cc(N4CCC5(CC4)CN(c4cc(F)c(CN6CCC(C)(C)CC6)cc4F)CC(=O)N5)ncn3)CC2C1.CNC(C)C.NC=O.O=CNCC(=O)N1CCCC1.c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C39H57F2N9O3.C10H12.C7H12N2O2.C6H12.C4H11N.CH3NO/c1-38(2)5-11-47(12-6-38)22-29-17-32(41)33(18-31(29)40)50-23-36(51)46-39(25-50)7-13-49(14-8-39)35-19-34(44-26-45-35)43-9-4-10-48-20-27-15-30(16-28(27)21-48)53-24-37(52)42-3;1-2-6-10-8-4-3-7-9(10)5-1;10-6-8-5-7(11)9-3-1-2-4-9;1-2-4-6-5-3-1;1-4(2)5-3;2-1-3/h17-19,26-28,30H,4-16,20-25H2,1-3H3,(H,42,52)(H,46,51)(H,43,44,45);1-2,5-6H,3-4,7-8H2;6H,1-5H2,(H,8,10);1-6H2;4-5H,1-3H3;1H,(H2,2,3)
• InChIKey: HJOVKHVGRMXMDO-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 222.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1228.67
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene (CID 171627651) is cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene is C1CCCCC1.CNC(=O)COC1CC2CN(CCCNc3cc(N4CCC5(CC4)CN(c4cc(F)c(CN6CCC(C)(C)CC6)cc4F)CC(=O)N5)ncn3)CC2C1.CNC(C)C.NC=O.O=CNCC(=O)N1CCCC1.c1ccc2c(c1)CCCC2.

What is the InChIKey of cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene?

The InChIKey is HJOVKHVGRMXMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57F2N9O3.C10H12.C7H12N2O2.C6H12.C4H11N.CH3NO/c1-38(2)5-11-47(12-6-38)22-29-17-32(41)33(18-31(29)40)50-23-36(51)46-39(25-50)7-13-49(14-8-39)35-19-34(44-26-45-35)43-9-4-10-48-20-27-15-30(16-28(27)21-48)53-24-37(52)42-3;1-2-6-10-8-4-3-7-9(10)5-1;10-6-8-5-7(11)9-3-1-2-4-9;1-2-4-6-5-3-1;1-4(2)5-3;2-1-3/h17-19,26-28,30H,4-16,20-25H2,1-3H3,(H,42,52)(H,46,51)(H,43,44,45);1-2,5-6H,3-4,7-8H2;6H,1-5H2,(H,8,10);1-6H2;4-5H,1-3H3;1H,(H2,2,3).

What are the key properties of cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene?

cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1228.67 g/mol, XLogP of 7.60, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;2-[[2-[3-[[6-[4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-2-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]pyrimidin-4-yl]amino]propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]-N-methylacetamide;formamide;N-methylpropan-2-amine;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 171627651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).