6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol

C15H15Cl2FN4O — CID 164534412

IUPAC6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol
SMILESOC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1
InChIInChI=1S/C15H15Cl2FN4O/c16-12-10(18)11-9(6-19-12)13(21-14(17)20-11)22-3-1-2-15(7-22)4-8(23)5-15/h6,8,23H,1-5,7H2
InChIKeyHQWOJQJECBDXFC-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.21
Rot. Bonds1

About 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol

6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol (PubChem CID 164534412) has the molecular formula C15H15Cl2FN4O and a molecular weight of 357.22 g/mol. Its IUPAC name is 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol
PubChem CID164534412
Molecular FormulaC15H15Cl2FN4O
Molecular Weight357.22 g/mol
Exact Mass356.06
IUPAC Name6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol
SMILESOC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1
InChIInChI=1S/C15H15Cl2FN4O/c16-12-10(18)11-9(6-19-12)13(21-14(17)20-11)22-3-1-2-15(7-22)4-8(23)5-15/h6,8,23H,1-5,7H2
InChIKeyHQWOJQJECBDXFC-UHFFFAOYSA-N
XLogP3.21
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol?
The IUPAC name of 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol (CID 164534412) is 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol?
The canonical SMILES for 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol is OC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1.
What is the InChIKey of 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol?
The InChIKey is HQWOJQJECBDXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN4O/c16-12-10(18)11-9(6-19-12)13(21-14(17)20-11)22-3-1-2-15(7-22)4-8(23)5-15/h6,8,23H,1-5,7H2.
What are the key properties of 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol?
6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol has a molecular weight of 357.22 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 164534412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).