5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

C83H87ClF3N35O9 — CID 159387256

About 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 159387256) has the molecular formula C83H87ClF3N35O9 and a molecular weight of 1811.29 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
• PubChem CID: 159387256
• Molecular Formula: C83H87ClF3N35O9
• Molecular Weight: 1811.29 g/mol
• Exact Mass: 1809.71
• IUPAC Name: 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
• SMILES: CC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.COc1c(Cl)cncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.COc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.Cc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.Nc1nn2cc3c(nc2c1C(=O)Nc1cnccc1OCC(F)(F)F)CCNC3
• InChI: InChI=1S/C18H21N7O2.C17H16F3N7O2.C16H16ClN7O2.C16H17N7O2.C16H17N7O/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25;18-17(19,20)8-29-12-2-4-23-6-11(12)25-16(28)13-14(21)26-27-7-9-5-22-3-1-10(9)24-15(13)27;1-26-13-9(17)5-20-6-11(13)22-16(25)12-14(18)23-24-7-8-4-19-3-2-10(8)21-15(12)24;1-25-12-3-5-19-7-11(12)21-16(24)13-14(17)22-23-8-9-6-18-4-2-10(9)20-15(13)23;1-9-2-4-19-7-12(9)21-16(24)13-14(17)22-23-8-10-6-18-5-3-11(10)20-15(13)23/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26);2,4,6-7,22H,1,3,5,8H2,(H2,21,26)(H,25,28);5-7,19H,2-4H2,1H3,(H2,18,23)(H,22,25);3,5,7-8,18H,2,4,6H2,1H3,(H2,17,22)(H,21,24);2,4,7-8,18H,3,5-6H2,1H3,(H2,17,22)(H,21,24)
• InChIKey: LLQQXSGOTZJHLC-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 588.07 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.29
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?

The IUPAC name of 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 159387256) is 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.

What is the SMILES notation for 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?

The canonical SMILES for 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is CC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.COc1c(Cl)cncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.COc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.Cc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.Nc1nn2cc3c(nc2c1C(=O)Nc1cnccc1OCC(F)(F)F)CCNC3.

What is the InChIKey of 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?

The InChIKey is LLQQXSGOTZJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2.C17H16F3N7O2.C16H16ClN7O2.C16H17N7O2.C16H17N7O/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25;18-17(19,20)8-29-12-2-4-23-6-11(12)25-16(28)13-14(21)26-27-7-9-5-22-3-1-10(9)24-15(13)27;1-26-13-9(17)5-20-6-11(13)22-16(25)12-14(18)23-24-7-8-4-19-3-2-10(8)21-15(12)24;1-25-12-3-5-19-7-11(12)21-16(24)13-14(17)22-23-8-9-6-18-4-2-10(9)20-15(13)23;1-9-2-4-19-7-12(9)21-16(24)13-14(17)22-23-8-10-6-18-5-3-11(10)20-15(13)23/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26);2,4,6-7,22H,1,3,5,8H2,(H2,21,26)(H,25,28);5-7,19H,2-4H2,1H3,(H2,18,23)(H,22,25);3,5,7-8,18H,2,4,6H2,1H3,(H2,17,22)(H,21,24);2,4,7-8,18H,3,5-6H2,1H3,(H2,17,22)(H,21,24).

What are the key properties of 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?

5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide has a molecular weight of 1811.29 g/mol, XLogP of 5.73, 16 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 159387256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).