4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C20H17FN6O — CID 162379264

IUPAC4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1cccc(-c2ccnn2-c2nc(N3CCOCC3)c3ncccc3n2)c1
InChIInChI=1S/C20H17FN6O/c21-15-4-1-3-14(13-15)17-6-8-23-27(17)20-24-16-5-2-7-22-18(16)19(25-20)26-9-11-28-12-10-26/h1-8,13H,9-12H2
InChIKeyKXUYZGHSHYCIOF-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.85
Rot. Bonds3

About 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 162379264) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID162379264
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1cccc(-c2ccnn2-c2nc(N3CCOCC3)c3ncccc3n2)c1
InChIInChI=1S/C20H17FN6O/c21-15-4-1-3-14(13-15)17-6-8-23-27(17)20-24-16-5-2-7-22-18(16)19(25-20)26-9-11-28-12-10-26/h1-8,13H,9-12H2
InChIKeyKXUYZGHSHYCIOF-UHFFFAOYSA-N
XLogP2.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 162379264) is 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1cccc(-c2ccnn2-c2nc(N3CCOCC3)c3ncccc3n2)c1.
What is the InChIKey of 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is KXUYZGHSHYCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-15-4-1-3-14(13-15)17-6-8-23-27(17)20-24-16-5-2-7-22-18(16)19(25-20)26-9-11-28-12-10-26/h1-8,13H,9-12H2.
What are the key properties of 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 376.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3-fluorophenyl)pyrazol-1-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 162379264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).