7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene

C22H21FN6O2 — CID 176974249

About 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene

7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene (PubChem CID 176974249) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene.

Molecular Properties

• Compound Name: 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
• PubChem CID: 176974249
• Molecular Formula: C22H21FN6O2
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.17
• IUPAC Name: 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
• SMILES: COc1nc2c3c(nc(-c4c(C5CC5)c(C)cc5[nH]ncc45)c(F)c3n1)OCCN2C
• InChI: InChI=1S/C22H21FN6O2/c1-10-8-13-12(9-24-28-13)15(14(10)11-4-5-11)18-17(23)19-16-20(27-22(26-19)30-3)29(2)6-7-31-21(16)25-18/h8-9,11H,4-7H2,1-3H3,(H,24,28)
• InChIKey: KPKROFRGOUGTRX-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?

The IUPAC name of 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene (CID 176974249) is 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene.

What is the SMILES notation for 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?

The canonical SMILES for 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene is COc1nc2c3c(nc(-c4c(C5CC5)c(C)cc5[nH]ncc45)c(F)c3n1)OCCN2C.

What is the InChIKey of 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?

The InChIKey is KPKROFRGOUGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-10-8-13-12(9-24-28-13)15(14(10)11-4-5-11)18-17(23)19-16-20(27-22(26-19)30-3)29(2)6-7-31-21(16)25-18/h8-9,11H,4-7H2,1-3H3,(H,24,28).

What are the key properties of 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene?

7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene has a molecular weight of 420.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene is sourced from PubChem (CID 176974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).