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

C20H20FN7O — CID 139367421

IUPAC1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(O)C2)cc(F)n1
InChIInChI=1S/C20H20FN7O/c1-12-15-9-24-20(19-22-4-2-5-23-19)25-16(15)3-6-28(12)18-8-13(7-17(21)26-18)27-10-14(29)11-27/h2,4-5,7-9,12,14,29H,3,6,10-11H2,1H3
InChIKeyLHWZCJBDOMNVBU-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.77
Rot. Bonds3

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

1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol (PubChem CID 139367421) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol
PubChem CID139367421
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(O)C2)cc(F)n1
InChIInChI=1S/C20H20FN7O/c1-12-15-9-24-20(19-22-4-2-5-23-19)25-16(15)3-6-28(12)18-8-13(7-17(21)26-18)27-10-14(29)11-27/h2,4-5,7-9,12,14,29H,3,6,10-11H2,1H3
InChIKeyLHWZCJBDOMNVBU-UHFFFAOYSA-N
XLogP1.77
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol?
The IUPAC name of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol (CID 139367421) is 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol?
The canonical SMILES for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(O)C2)cc(F)n1.
What is the InChIKey of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol?
The InChIKey is LHWZCJBDOMNVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12-15-9-24-20(19-22-4-2-5-23-19)25-16(15)3-6-28(12)18-8-13(7-17(21)26-18)27-10-14(29)11-27/h2,4-5,7-9,12,14,29H,3,6,10-11H2,1H3.
What are the key properties of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol?
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol has a molecular weight of 393.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 139367421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).