5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole

C35H34F6N6O3 — CID 175977330

About 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole

5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole (PubChem CID 175977330) has the molecular formula C35H34F6N6O3 and a molecular weight of 700.68 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole.

Molecular Properties

• Compound Name: 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole
• PubChem CID: 175977330
• Molecular Formula: C35H34F6N6O3
• Molecular Weight: 700.68 g/mol
• Exact Mass: 700.26
• IUPAC Name: 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole
• SMILES: CCc1c(F)ccc2cc3c(cnn3C3CCCCO3)c(-c3ncc4c(OCC(F)(F)F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
• InChI: InChI=1S/C35H34F6N6O3/c1-2-21-24(37)8-7-19-12-25-22(15-43-47(25)26-6-3-4-11-48-26)28(27(19)21)31-29(38)30-23(14-42-31)32(49-18-35(39,40)41)45-33(44-30)50-17-34-9-5-10-46(34)16-20(36)13-34/h7-8,12,14-15,20,26H,2-6,9-11,13,16-18H2,1H3/t20-,26?,34+/m1/s1
• InChIKey: UWYLMDJFSRNSTG-IFBRMZOESA-N
• XLogP: 7.63
• TPSA: 87.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.68
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole?

The IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole (CID 175977330) is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole.

What is the SMILES notation for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole?

The canonical SMILES for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole is CCc1c(F)ccc2cc3c(cnn3C3CCCCO3)c(-c3ncc4c(OCC(F)(F)F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.

What is the InChIKey of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole?

The InChIKey is UWYLMDJFSRNSTG-IFBRMZOESA-N. The full InChI is InChI=1S/C35H34F6N6O3/c1-2-21-24(37)8-7-19-12-25-22(15-43-47(25)26-6-3-4-11-48-26)28(27(19)21)31-29(38)30-23(14-42-31)32(49-18-35(39,40)41)45-33(44-30)50-17-34-9-5-10-46(34)16-20(36)13-34/h7-8,12,14-15,20,26H,2-6,9-11,13,16-18H2,1H3/t20-,26?,34+/m1/s1.

What are the key properties of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole?

5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole has a molecular weight of 700.68 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1-(oxan-2-yl)benzo[f]indazole is sourced from PubChem (CID 175977330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).