5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol

C34H38F2N6O3 — CID 169255838

About 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol

5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol (PubChem CID 169255838) has the molecular formula C34H38F2N6O3 and a molecular weight of 616.71 g/mol. Its IUPAC name is 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol.

Molecular Properties

• Compound Name: 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol
• PubChem CID: 169255838
• Molecular Formula: C34H38F2N6O3
• Molecular Weight: 616.71 g/mol
• Exact Mass: 616.30
• IUPAC Name: 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol
• SMILES: CCc1nc(-c2cc(O)cc3ccc(F)c(OC4CC4)c23)c(F)c2nc(OCC34CCCN3CCC4)nc(N3CCNCC3)c12
• InChI: InChI=1S/C34H38F2N6O3/c1-2-25-27-30(28(36)29(38-25)23-18-21(43)17-20-5-8-24(35)31(26(20)23)45-22-6-7-22)39-33(40-32(27)41-15-11-37-12-16-41)44-19-34-9-3-13-42(34)14-4-10-34/h5,8,17-18,22,37,43H,2-4,6-7,9-16,19H2,1H3
• InChIKey: OIFOJNYAOLDROD-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 95.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.71
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol?

The IUPAC name of 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol (CID 169255838) is 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol.

What is the SMILES notation for 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol?

The canonical SMILES for 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol is CCc1nc(-c2cc(O)cc3ccc(F)c(OC4CC4)c23)c(F)c2nc(OCC34CCCN3CCC4)nc(N3CCNCC3)c12.

What is the InChIKey of 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol?

The InChIKey is OIFOJNYAOLDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O3/c1-2-25-27-30(28(36)29(38-25)23-18-21(43)17-20-5-8-24(35)31(26(20)23)45-22-6-7-22)39-33(40-32(27)41-15-11-37-12-16-41)44-19-34-9-3-13-42(34)14-4-10-34/h5,8,17-18,22,37,43H,2-4,6-7,9-16,19H2,1H3.

What are the key properties of 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol?

5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol has a molecular weight of 616.71 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyloxy-4-[5-ethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-piperazin-1-ylpyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 169255838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).