4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one

C36H35F2N7O3 — CID 174251643

About 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one

4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 174251643) has the molecular formula C36H35F2N7O3 and a molecular weight of 651.72 g/mol. Its IUPAC name is 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 174251643
• Molecular Formula: C36H35F2N7O3
• Molecular Weight: 651.72 g/mol
• Exact Mass: 651.28
• IUPAC Name: 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one
• SMILES: C=C1CN2CC(=C)CC2(COc2nc(NC(C)c3cccnc3N)c3c(=O)[nH]c(-c4cc(O)cc5ccc(F)c(CC)c45)c(F)c3n2)C1
• InChI: InChI=1S/C36H35F2N7O3/c1-5-23-26(37)9-8-21-11-22(46)12-25(27(21)23)30-29(38)31-28(34(47)42-30)33(41-20(4)24-7-6-10-40-32(24)39)44-35(43-31)48-17-36-13-18(2)15-45(36)16-19(3)14-36/h6-12,20,46H,2-3,5,13-17H2,1,4H3,(H2,39,40)(H,42,47)(H,41,43,44)
• InChIKey: AUVOVOMBLBAPCP-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 142.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.72
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 174251643) is 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one.

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

The canonical SMILES for 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one is C=C1CN2CC(=C)CC2(COc2nc(NC(C)c3cccnc3N)c3c(=O)[nH]c(-c4cc(O)cc5ccc(F)c(CC)c45)c(F)c3n2)C1.

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

The InChIKey is AUVOVOMBLBAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F2N7O3/c1-5-23-26(37)9-8-21-11-22(46)12-25(27(21)23)30-29(38)31-28(34(47)42-30)33(41-20(4)24-7-6-10-40-32(24)39)44-35(43-31)48-17-36-13-18(2)15-45(36)16-19(3)14-36/h6-12,20,46H,2-3,5,13-17H2,1,4H3,(H2,39,40)(H,42,47)(H,41,43,44).

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

4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 651.72 g/mol, XLogP of 6.17, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-amino-3-pyridinyl)ethylamino]-2-[(2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methoxy]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 174251643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).