7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene

C31H35F2N7O2 — CID 169182562

About 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene

7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene (PubChem CID 169182562) has the molecular formula C31H35F2N7O2 and a molecular weight of 575.66 g/mol. Its IUPAC name is 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene.

Molecular Properties

• Compound Name: 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene
• PubChem CID: 169182562
• Molecular Formula: C31H35F2N7O2
• Molecular Weight: 575.66 g/mol
• Exact Mass: 575.28
• IUPAC Name: 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene
• SMILES: Cc1ccc2cnn(C)c2c1-c1cc2c3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c1F)N(C1CCNC1)CCO2
• InChI: InChI=1S/C31H35F2N7O2/c1-18-4-5-19-14-35-38(2)28(19)24(18)22-12-23-25-27(26(22)33)36-30(42-17-31-7-3-9-39(31)16-20(32)13-31)37-29(25)40(10-11-41-23)21-6-8-34-15-21/h4-5,12,14,20-21,34H,3,6-11,13,15-17H2,1-2H3/t20-,21?,31+/m1/s1
• InChIKey: LEANOTFYOOGRIR-DSLPDTBXSA-N
• XLogP: 4.15
• TPSA: 80.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.66
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene?

The IUPAC name of 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene (CID 169182562) is 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene.

What is the SMILES notation for 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene?

The canonical SMILES for 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene is Cc1ccc2cnn(C)c2c1-c1cc2c3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c1F)N(C1CCNC1)CCO2.

What is the InChIKey of 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene?

The InChIKey is LEANOTFYOOGRIR-DSLPDTBXSA-N. The full InChI is InChI=1S/C31H35F2N7O2/c1-18-4-5-19-14-35-38(2)28(19)24(18)22-12-23-25-27(26(22)33)36-30(42-17-31-7-3-9-39(31)16-20(32)13-31)37-29(25)40(10-11-41-23)21-6-8-34-15-21/h4-5,12,14,20-21,34H,3,6-11,13,15-17H2,1-2H3/t20-,21?,31+/m1/s1.

What are the key properties of 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene?

7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene has a molecular weight of 575.66 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,6-dimethylindazol-7-yl)-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-pyrrolidin-3-yl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene is sourced from PubChem (CID 169182562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).