6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

C23H17F2N7O3 — CID 90445965

IUPAC6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=c1[nH]oc2c1CCN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)C2
InChIInChI=1S/C23H17F2N7O3/c24-15-4-2-1-3-13(15)11-32-19(17-6-8-34-29-17)9-18(28-32)21-26-10-16(25)22(27-21)31-7-5-14-20(12-31)35-30-23(14)33/h1-4,6,8-10H,5,7,11-12H2,(H,30,33)
InChIKeyFDJDPJZVNUZZFQ-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.17
Rot. Bonds5

About 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 90445965) has the molecular formula C23H17F2N7O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID90445965
Molecular FormulaC23H17F2N7O3
Molecular Weight477.43 g/mol
Exact Mass477.14
IUPAC Name6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESO=c1[nH]oc2c1CCN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)C2
InChIInChI=1S/C23H17F2N7O3/c24-15-4-2-1-3-13(15)11-32-19(17-6-8-34-29-17)9-18(28-32)21-26-10-16(25)22(27-21)31-7-5-14-20(12-31)35-30-23(14)33/h1-4,6,8-10H,5,7,11-12H2,(H,30,33)
InChIKeyFDJDPJZVNUZZFQ-UHFFFAOYSA-N
XLogP3.17
TPSA118.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 90445965) is 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is O=c1[nH]oc2c1CCN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)C2.
What is the InChIKey of 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is FDJDPJZVNUZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O3/c24-15-4-2-1-3-13(15)11-32-19(17-6-8-34-29-17)9-18(28-32)21-26-10-16(25)22(27-21)31-7-5-14-20(12-31)35-30-23(14)33/h1-4,6,8-10H,5,7,11-12H2,(H,30,33).
What are the key properties of 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 477.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 90445965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).