7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

C93H84FN27O3S — CID 159477803

About 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine

7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (PubChem CID 159477803) has the molecular formula C93H84FN27O3S and a molecular weight of 1678.95 g/mol. Its IUPAC name is 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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: 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
• PubChem CID: 159477803
• Molecular Formula: C93H84FN27O3S
• Molecular Weight: 1678.95 g/mol
• Exact Mass: 1677.70
• IUPAC Name: 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine
• SMILES: CC(=O)NC1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCO2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.Cc1nn(C)cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C21H18N6S.C20H20N6O.C19H18FN5.C17H15N5O.C16H13N5O/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;1-10-15(8-21-25-10)20-14-7-12(23-11(2)27)3-4-13(14)19-16-9-22-26-17(16)5-6-18(19)24-20;1-10-14(9-25(2)24-10)18-12-6-4-3-5-11(12)17-13-8-21-23-16(13)7-15(20)19(17)22-18;1-9-11(6-18-21-9)17-13-8-23-5-4-10(13)16-12-7-19-22-14(12)2-3-15(16)20-17;1-8-10(6-17-20-8)15-9-4-5-22-16(9)14-11-7-18-21-12(11)2-3-13(14)19-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);5-6,8-9,12H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27);7-9H,3-6H2,1-2H3,(H,21,23);2-3,6-7H,4-5,8H2,1H3,(H,18,21)(H,19,22);2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21)
• InChIKey: LWPNDZHRPVJTLK-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 401.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.95
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine (CID 159477803) is 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine is CC(=O)NC1CCc2c(c(-c3cn[nH]c3C)nc3ccc4[nH]ncc4c23)C1.CN1CCc2c(c(-c3ccc4nc(N)sc4c3)nc3ccc4[nH]ncc4c23)C1.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCO2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1COCC2.Cc1nn(C)cc1-c1nc2c(F)cc3[nH]ncc3c2c2c1CCCC2.

What is the InChIKey of 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

The InChIKey is LWPNDZHRPVJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S.C20H20N6O.C19H18FN5.C17H15N5O.C16H13N5O/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;1-10-15(8-21-25-10)20-14-7-12(23-11(2)27)3-4-13(14)19-16-9-22-26-17(16)5-6-18(19)24-20;1-10-14(9-25(2)24-10)18-12-6-4-3-5-11(12)17-13-8-21-23-16(13)7-15(20)19(17)22-18;1-9-11(6-18-21-9)17-13-8-23-5-4-10(13)16-12-7-19-22-14(12)2-3-15(16)20-17;1-8-10(6-17-20-8)15-9-4-5-22-16(9)14-11-7-18-21-12(11)2-3-13(14)19-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,23,26);5-6,8-9,12H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)(H,23,27);7-9H,3-6H2,1-2H3,(H,21,23);2-3,6-7H,4-5,8H2,1H3,(H,18,21)(H,19,22);2-3,6-7H,4-5H2,1H3,(H,17,20)(H,18,21).

What are the key properties of 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;6-(9-methyl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridin-7-yl)-1,3-benzothiazol-2-amine?

7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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 1678.95 g/mol, XLogP of 16.23, 6 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-dimethylpyrazol-4-yl)-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;8-(5-methyl-1H-pyrazol-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-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;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 159477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).