4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one

C34H35F2N7O3 — CID 174251575

About 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one

4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 174251575) has the molecular formula C34H35F2N7O3 and a molecular weight of 627.70 g/mol. Its IUPAC name is 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 174251575
• Molecular Formula: C34H35F2N7O3
• Molecular Weight: 627.70 g/mol
• Exact Mass: 627.28
• IUPAC Name: 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3[nH]c(=O)c4c(N[C@H](C)c5cccnc5N)nc(OCC56CCCN5CCC6)nc4c3F)c12
• InChI: InChI=1S/C34H35F2N7O3/c1-3-21-24(35)9-8-19-15-20(44)16-23(25(19)21)28-27(36)29-26(32(45)40-28)31(39-18(2)22-7-4-12-38-30(22)37)42-33(41-29)46-17-34-10-5-13-43(34)14-6-11-34/h4,7-9,12,15-16,18,44H,3,5-6,10-11,13-14,17H2,1-2H3,(H2,37,38)(H,40,45)(H,39,41,42)/t18-/m1/s1
• InChIKey: RWDZDWVPLGGGLE-GOSISDBHSA-N
• XLogP: 5.84
• TPSA: 142.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.70
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 174251575) is 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one is CCc1c(F)ccc2cc(O)cc(-c3[nH]c(=O)c4c(N[C@H](C)c5cccnc5N)nc(OCC56CCCN5CCC6)nc4c3F)c12.

What is the InChIKey of 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is RWDZDWVPLGGGLE-GOSISDBHSA-N. The full InChI is InChI=1S/C34H35F2N7O3/c1-3-21-24(35)9-8-19-15-20(44)16-23(25(19)21)28-27(36)29-26(32(45)40-28)31(39-18(2)22-7-4-12-38-30(22)37)42-33(41-29)46-17-34-10-5-13-43(34)14-6-11-34/h4,7-9,12,15-16,18,44H,3,5-6,10-11,13-14,17H2,1-2H3,(H2,37,38)(H,40,45)(H,39,41,42)/t18-/m1/s1.

What are the key properties of 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one?

4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 627.70 g/mol, XLogP of 5.84, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 174251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).