1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone

About 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone

1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone (PubChem CID 139367473) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name	1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone
PubChem CID	139367473
Molecular Formula	C22H23FN8O
Molecular Weight	434.48 g/mol
Exact Mass	434.20
IUPAC Name	1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone
SMILES	CC(=O)N1CC(Nc2cc(F)nc(N3CCc4nc(-c5ncccn5)ncc4C3C)c2)C1
InChI	InChI=1S/C22H23FN8O/c1-13-17-10-26-22(21-24-5-3-6-25-21)28-18(17)4-7-31(13)20-9-15(8-19(23)29-20)27-16-11-30(12-16)14(2)32/h3,5-6,8-10,13,16H,4,7,11-12H2,1-2H3,(H,27,29)
InChIKey	NDVFHLREMMRWMY-UHFFFAOYSA-N
XLogP	2.23
TPSA	100.03 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone?

The IUPAC name of 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone (CID 139367473) is 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone is CC(=O)N1CC(Nc2cc(F)nc(N3CCc4nc(-c5ncccn5)ncc4C3C)c2)C1.

What is the InChIKey of 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone?

The InChIKey is NDVFHLREMMRWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-13-17-10-26-22(21-24-5-3-6-25-21)28-18(17)4-7-31(13)20-9-15(8-19(23)29-20)27-16-11-30(12-16)14(2)32/h3,5-6,8-10,13,16H,4,7,11-12H2,1-2H3,(H,27,29).

What are the key properties of 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone?

1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone has a molecular weight of 434.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 139367473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).