9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

C116H98FN29O3S2 — CID 158324511

About 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (PubChem CID 158324511) has the molecular formula C116H98FN29O3S2 and a molecular weight of 2029.39 g/mol. Its IUPAC name is 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
• PubChem CID: 158324511
• Molecular Formula: C116H98FN29O3S2
• Molecular Weight: 2029.39 g/mol
• Exact Mass: 2027.78
• IUPAC Name: 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
• SMILES: CC1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.CC1=NCC=C1c1nc2ccc3[nH]ncc3c2c2c1COCC2.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1
• InChI: InChI=1S/C21H18N6S.C20H15N5.C20H21N5.C19H12N4O2S.C18H16FN5.C18H16N4O/c1-27-7-6-12-14(10-27)20(11-2-3-16-18(8-11)28-21(22)25-16)24-17-5-4-15-13(19(12)17)9-23-26-15;1-12-13(7-9-21-12)19-10-14(16-4-2-3-8-22-16)20-15-11-23-25-17(15)5-6-18(20)24-19;1-12-15(10-21-24-12)19-9-14(13-5-3-2-4-6-13)20-16-11-22-25-17(16)7-8-18(20)23-19;1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-10-11(4-6-19-10)18-14-9-23-7-5-12(14)17-13-8-20-22-15(13)2-3-16(17)21-18/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);2-8,10-11H,9H2,1H3,(H,23,25);7-11,13H,2-6H2,1H3,(H,21,24)(H,22,25);2-9H,1H3,(H,20,23);6-8H,2-5H2,1H3,(H,20,23)(H,21,24);2-4,8H,5-7,9H2,1H3,(H,20,22)
• InChIKey: GPGBDNHUVUZTCV-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 434.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2029.39
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

The IUPAC name of 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (CID 158324511) is 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine.

What is the SMILES notation for 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

The canonical SMILES for 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine is CC1=NCC=C1c1cc(-c2ccccn2)c2c(ccc3[nH]ncc32)n1.CC1=NCC=C1c1nc2ccc3[nH]ncc3c2c2c1COCC2.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1cc(C2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.Cc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1.

What is the InChIKey of 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

The InChIKey is GPGBDNHUVUZTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S.C20H15N5.C20H21N5.C19H12N4O2S.C18H16FN5.C18H16N4O/c1-27-7-6-12-14(10-27)20(11-2-3-16-18(8-11)28-21(22)25-16)24-17-5-4-15-13(19(12)17)9-23-26-15;1-12-13(7-9-21-12)19-10-14(16-4-2-3-8-22-16)20-15-11-23-25-17(15)5-6-18(20)24-19;1-12-15(10-21-24-12)19-9-14(13-5-3-2-4-6-13)20-16-11-22-25-17(16)7-8-18(20)23-19;1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16;1-9-12(7-20-23-9)17-11-5-3-2-4-10(11)16-13-8-21-24-15(13)6-14(19)18(16)22-17;1-10-11(4-6-19-10)18-14-9-23-7-5-12(14)17-13-8-20-22-15(13)2-3-16(17)21-18/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);2-8,10-11H,9H2,1H3,(H,23,25);7-11,13H,2-6H2,1H3,(H,21,24)(H,22,25);2-9H,1H3,(H,20,23);6-8H,2-5H2,1H3,(H,20,23)(H,21,24);2-4,8H,5-7,9H2,1H3,(H,20,22).

What are the key properties of 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine has a molecular weight of 2029.39 g/mol, XLogP of 23.95, 10 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;8-(5-methyl-2H-pyrrol-4-yl)-5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 158324511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).