4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol

C102H110F5N15O6 — CID 161288503

About 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol

4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (PubChem CID 161288503) has the molecular formula C102H110F5N15O6 and a molecular weight of 1737.09 g/mol. Its IUPAC name is 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.

Molecular Properties

• Compound Name: 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
• PubChem CID: 161288503
• Molecular Formula: C102H110F5N15O6
• Molecular Weight: 1737.09 g/mol
• Exact Mass: 1735.87
• IUPAC Name: 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
• SMILES: C=CC1NN=CC1C1=CNC(c2ccc(O)c(C(F)(F)F)c2)C=C1CCCC.C=Cc1[nH]ncc1C1=CNC(c2ccc(O)c(OC)c2)C=C1CCCC.Cc1c(CC(C)C)c(-c2ccc(O)cc2F)nc2ccc3[nH]ncc3c12.OC1C=CC(/C(=N/c2ccc3[nH]ncc3c2)C2=CCCC2)=CC1.Oc1ccc(C(NC2=CC3C=NNC3C=C2)C2=CCCCC2)c(F)c1
• InChI: InChI=1S/C21H24F3N3O.C21H20FN3O.C21H25N3O2.C20H22FN3O.C19H19N3O/c1-3-5-6-13-10-19(14-7-8-20(28)17(9-14)21(22,23)24)25-11-15(13)16-12-26-27-18(16)4-2;1-11(2)8-15-12(3)20-16-10-23-25-18(16)6-7-19(20)24-21(15)14-5-4-13(26)9-17(14)22;1-4-6-7-14-10-19(15-8-9-20(25)21(11-15)26-3)22-12-16(14)17-13-23-24-18(17)5-2;21-18-11-16(25)7-8-17(18)20(13-4-2-1-3-5-13)23-15-6-9-19-14(10-15)12-22-24-19;23-17-8-5-14(6-9-17)19(13-3-1-2-4-13)21-16-7-10-18-15(11-16)12-20-22-18/h4,7-12,16,18-19,25,27-28H,2-3,5-6H2,1H3;4-7,9-11,26H,8H2,1-3H3,(H,23,25);5,8-13,19,22,25H,2,4,6-7H2,1,3H3,(H,23,24);4,6-12,14,19-20,23-25H,1-3,5H2;3,5-8,10-12,17,23H,1-2,4,9H2,(H,20,22)/b;;;;21-19+
• InChIKey: VGAQVZHONNWUAK-TUWCORJJSA-N
• XLogP: 22.20
• TPSA: 306.54 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1737.09
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?

The IUPAC name of 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol (CID 161288503) is 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol.

What is the SMILES notation for 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?

The canonical SMILES for 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is C=CC1NN=CC1C1=CNC(c2ccc(O)c(C(F)(F)F)c2)C=C1CCCC.C=Cc1[nH]ncc1C1=CNC(c2ccc(O)c(OC)c2)C=C1CCCC.Cc1c(CC(C)C)c(-c2ccc(O)cc2F)nc2ccc3[nH]ncc3c12.OC1C=CC(/C(=N/c2ccc3[nH]ncc3c2)C2=CCCC2)=CC1.Oc1ccc(C(NC2=CC3C=NNC3C=C2)C2=CCCCC2)c(F)c1.

What is the InChIKey of 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?

The InChIKey is VGAQVZHONNWUAK-TUWCORJJSA-N. The full InChI is InChI=1S/C21H24F3N3O.C21H20FN3O.C21H25N3O2.C20H22FN3O.C19H19N3O/c1-3-5-6-13-10-19(14-7-8-20(28)17(9-14)21(22,23)24)25-11-15(13)16-12-26-27-18(16)4-2;1-11(2)8-15-12(3)20-16-10-23-25-18(16)6-7-19(20)24-21(15)14-5-4-13(26)9-17(14)22;1-4-6-7-14-10-19(15-8-9-20(25)21(11-15)26-3)22-12-16(14)17-13-23-24-18(17)5-2;21-18-11-16(25)7-8-17(18)20(13-4-2-1-3-5-13)23-15-6-9-19-14(10-15)12-22-24-19;23-17-8-5-14(6-9-17)19(13-3-1-2-4-13)21-16-7-10-18-15(11-16)12-20-22-18/h4,7-12,16,18-19,25,27-28H,2-3,5-6H2,1H3;4-7,9-11,26H,8H2,1-3H3,(H,23,25);5,8-13,19,22,25H,2,4,6-7H2,1,3H3,(H,23,24);4,6-12,14,19-20,23-25H,1-3,5H2;3,5-8,10-12,17,23H,1-2,4,9H2,(H,20,22)/b;;;;21-19+.

What are the key properties of 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol?

4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol has a molecular weight of 1737.09 g/mol, XLogP of 22.20, 23 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3a,7a-dihydro-1H-indazol-5-ylamino)-(cyclohexen-1-yl)methyl]-3-fluorophenol;4-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-(trifluoromethyl)phenol;4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-methoxyphenol;4-[C-(cyclopenten-1-yl)-N-(1H-indazol-5-yl)carbonimidoyl]cyclohexa-2,4-dien-1-ol;3-fluoro-4-[9-methyl-8-(2-methylpropyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol is sourced from PubChem (CID 161288503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).