N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C33H26F2N8 — CID 145038673

About N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 145038673) has the molecular formula C33H26F2N8 and a molecular weight of 572.62 g/mol. Its IUPAC name is N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 145038673
• Molecular Formula: C33H26F2N8
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.22
• IUPAC Name: N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: Fc1ccc(-c2nccc3c2CN=C(C2=NCNc4ncc(-c5cncc(CNCc6ccccc6)c5)c(F)c42)N3)cc1
• InChI: InChI=1S/C33H26F2N8/c34-24-8-6-22(7-9-24)30-26-18-40-33(43-27(26)10-11-38-30)31-28-29(35)25(17-39-32(28)42-19-41-31)23-12-21(15-37-16-23)14-36-13-20-4-2-1-3-5-20/h1-12,15-17,36H,13-14,18-19H2,(H,39,42)(H,40,43)
• InChIKey: OAYSZTZBFAZFBD-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 99.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The IUPAC name of N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 145038673) is N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

What is the SMILES notation for N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The canonical SMILES for N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Fc1ccc(-c2nccc3c2CN=C(C2=NCNc4ncc(-c5cncc(CNCc6ccccc6)c5)c(F)c42)N3)cc1.

What is the InChIKey of N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The InChIKey is OAYSZTZBFAZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F2N8/c34-24-8-6-22(7-9-24)30-26-18-40-33(43-27(26)10-11-38-30)31-28-29(35)25(17-39-32(28)42-19-41-31)23-12-21(15-37-16-23)14-36-13-20-4-2-1-3-5-20/h1-12,15-17,36H,13-14,18-19H2,(H,39,42)(H,40,43).

What are the key properties of N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 572.62 g/mol, XLogP of 5.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-fluoro-4-[5-(4-fluorophenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 145038673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).