4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride

C102H107F2N17O7S — CID 160939596

About 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride

4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride (PubChem CID 160939596) has the molecular formula C102H107F2N17O7S and a molecular weight of 1753.15 g/mol. Its IUPAC name is 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride.

Molecular Properties

• Compound Name: 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride
• PubChem CID: 160939596
• Molecular Formula: C102H107F2N17O7S
• Molecular Weight: 1753.15 g/mol
• Exact Mass: 1751.82
• IUPAC Name: 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride
• SMILES: C=Cc1[nH]ncc1-c1cnc(C2CCC(=O)NC2=O)cc1C.CCC.CCCC1=C(C)c2c(ccc3[nH]ncc23)NC1c1ccc(O)cc1F.CCCC1=C(C)c2c(ccc3[nH]ncc23)NC1c1ccc2nc(C)sc2c1.F.O=C(O)C1CCc2c(c(C3=CCC(O)C=C3)nc3c2C2C=NNC2C=C3)C1.Oc1ccc(/C(=N/c2ccc3cn[nH]c3c2)C2=CCCCC2)cc1
• InChI: InChI=1S/C22H22N4S.C21H21N3O3.C20H20FN3O.C20H19N3O.C16H16N4O2.C3H8.FH/c1-4-5-15-12(2)21-16-11-23-26-17(16)8-9-19(21)25-22(15)14-6-7-18-20(10-14)27-13(3)24-18;25-13-4-1-11(2-5-13)20-15-9-12(21(26)27)3-6-14(15)19-16-10-22-24-17(16)7-8-18(19)23-20;1-3-4-13-11(2)19-15-10-22-24-17(15)7-8-18(19)23-20(13)14-6-5-12(25)9-16(14)21;24-18-10-7-15(8-11-18)20(14-4-2-1-3-5-14)22-17-9-6-16-13-21-23-19(16)12-17;1-3-13-12(8-18-20-13)11-7-17-14(6-9(11)2)10-4-5-15(21)19-16(10)22;1-3-2;/h6-11,22,25H,4-5H2,1-3H3,(H,23,26);1-2,4,7-8,10,12-13,16-17,24-25H,3,5-6,9H2,(H,26,27);5-10,20,23,25H,3-4H2,1-2H3,(H,22,24);4,6-13,24H,1-3,5H2,(H,21,23);3,6-8,10H,1,4-5H2,2H3,(H,18,20)(H,19,21,22);3H2,1-2H3;1H/b;;;22-20+
• InChIKey: SUIGLJOYKBSKKJ-NRULAYCFSA-N
• XLogP: 21.81
• TPSA: 358.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.15
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride?

The IUPAC name of 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride (CID 160939596) is 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride.

What is the SMILES notation for 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride?

The canonical SMILES for 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride is C=Cc1[nH]ncc1-c1cnc(C2CCC(=O)NC2=O)cc1C.CCC.CCCC1=C(C)c2c(ccc3[nH]ncc23)NC1c1ccc(O)cc1F.CCCC1=C(C)c2c(ccc3[nH]ncc23)NC1c1ccc2nc(C)sc2c1.F.O=C(O)C1CCc2c(c(C3=CCC(O)C=C3)nc3c2C2C=NNC2C=C3)C1.Oc1ccc(/C(=N/c2ccc3cn[nH]c3c2)C2=CCCCC2)cc1.

What is the InChIKey of 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride?

The InChIKey is SUIGLJOYKBSKKJ-NRULAYCFSA-N. The full InChI is InChI=1S/C22H22N4S.C21H21N3O3.C20H20FN3O.C20H19N3O.C16H16N4O2.C3H8.FH/c1-4-5-15-12(2)21-16-11-23-26-17(16)8-9-19(21)25-22(15)14-6-7-18-20(10-14)27-13(3)24-18;25-13-4-1-11(2-5-13)20-15-9-12(21(26)27)3-6-14(15)19-16-10-22-24-17(16)7-8-18(19)23-20;1-3-4-13-11(2)19-15-10-22-24-17(15)7-8-18(19)23-20(13)14-6-5-12(25)9-16(14)21;24-18-10-7-15(8-11-18)20(14-4-2-1-3-5-14)22-17-9-6-16-13-21-23-19(16)12-17;1-3-13-12(8-18-20-13)11-7-17-14(6-9(11)2)10-4-5-15(21)19-16(10)22;1-3-2;/h6-11,22,25H,4-5H2,1-3H3,(H,23,26);1-2,4,7-8,10,12-13,16-17,24-25H,3,5-6,9H2,(H,26,27);5-10,20,23,25H,3-4H2,1-2H3,(H,22,24);4,6-13,24H,1-3,5H2,(H,21,23);3,6-8,10H,1,4-5H2,2H3,(H,18,20)(H,19,21,22);3H2,1-2H3;1H/b;;;22-20+;;;.

What are the key properties of 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride?

4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride has a molecular weight of 1753.15 g/mol, XLogP of 21.81, 14 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[C-(cyclohexen-1-yl)-N-(1H-indazol-6-yl)carbonimidoyl]phenol;3-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-methyl-2-pyridinyl]piperidine-2,6-dione;3-fluoro-4-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;7-(4-hydroxycyclohexa-1,5-dien-1-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridine-9-carboxylic acid;2-methyl-6-(9-methyl-8-propyl-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazole;propane;hydrofluoride is sourced from PubChem (CID 160939596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).