7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide

C93H80F2N22O10S3 — CID 157205975

About 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide

7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide (PubChem CID 157205975) has the molecular formula C93H80F2N22O10S3 and a molecular weight of 1800.00 g/mol. Its IUPAC name is 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide.

Molecular Properties

• Compound Name: 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
• PubChem CID: 157205975
• Molecular Formula: C93H80F2N22O10S3
• Molecular Weight: 1800.00 g/mol
• Exact Mass: 1798.56
• IUPAC Name: 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
• SMILES: CN1CCC(NC(=O)c2sc3ncnc4c3c2NC(=O)N4c2ccc3c(cnn3Cc3cccc(F)c3)c2)CC1.COc1cc(NC(=O)c2sc3ncnc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2)ccc1CN1CCOCC1.O=C(Nc1ccc(CN2CCOCC2)cc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc2c(cnn2Cc2cccc(F)c2)c1
• InChI: InChI=1S/C33H27FN8O3S.C32H28N6O5S.C28H25FN8O2S/c34-23-3-1-2-21(14-23)18-41-26-9-8-25(15-22(26)16-37-41)42-30-27-28(39-33(42)44)29(46-32(27)36-19-35-30)31(43)38-24-6-4-20(5-7-24)17-40-10-12-45-13-11-40;1-41-25-17-21(8-7-20(25)18-37-13-15-42-16-14-37)35-30(39)28-27-26-29(33-19-34-31(26)44-28)38(32(40)36-27)22-9-11-24(12-10-22)43-23-5-3-2-4-6-23;1-35-9-7-19(8-10-35)33-26(38)24-23-22-25(30-15-31-27(22)40-24)37(28(39)34-23)20-5-6-21-17(12-20)13-32-36(21)14-16-3-2-4-18(29)11-16/h1-9,14-16,19H,10-13,17-18H2,(H,38,43)(H,39,44);2-12,17,19H,13-16,18H2,1H3,(H,35,39)(H,36,40);2-6,11-13,15,19H,7-10,14H2,1H3,(H,33,38)(H,34,39)
• InChIKey: ARJBCBPTFYRMNT-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 343.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.00
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide?

The IUPAC name of 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide (CID 157205975) is 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide.

What is the SMILES notation for 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide?

The canonical SMILES for 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide is CN1CCC(NC(=O)c2sc3ncnc4c3c2NC(=O)N4c2ccc3c(cnn3Cc3cccc(F)c3)c2)CC1.COc1cc(NC(=O)c2sc3ncnc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2)ccc1CN1CCOCC1.O=C(Nc1ccc(CN2CCOCC2)cc1)c1sc2ncnc3c2c1NC(=O)N3c1ccc2c(cnn2Cc2cccc(F)c2)c1.

What is the InChIKey of 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide?

The InChIKey is ARJBCBPTFYRMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN8O3S.C32H28N6O5S.C28H25FN8O2S/c34-23-3-1-2-21(14-23)18-41-26-9-8-25(15-22(26)16-37-41)42-30-27-28(39-33(42)44)29(46-32(27)36-19-35-30)31(43)38-24-6-4-20(5-7-24)17-40-10-12-45-13-11-40;1-41-25-17-21(8-7-20(25)18-37-13-15-42-16-14-37)35-30(39)28-27-26-29(33-19-34-31(26)44-28)38(32(40)36-27)22-9-11-24(12-10-22)43-23-5-3-2-4-6-23;1-35-9-7-19(8-10-35)33-26(38)24-23-22-25(30-15-31-27(22)40-24)37(28(39)34-23)20-5-6-21-17(12-20)13-32-36(21)14-16-3-2-4-18(29)11-16/h1-9,14-16,19H,10-13,17-18H2,(H,38,43)(H,39,44);2-12,17,19H,13-16,18H2,1H3,(H,35,39)(H,36,40);2-6,11-13,15,19H,7-10,14H2,1H3,(H,33,38)(H,34,39).

What are the key properties of 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide?

7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide has a molecular weight of 1800.00 g/mol, XLogP of 16.99, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-(1-methylpiperidin-4-yl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;7-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide is sourced from PubChem (CID 157205975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).