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

C23H18F2N8O2 — CID 86270162

IUPAC5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)CC2
InChIInChI=1S/C23H18F2N8O2/c24-15-4-2-1-3-13(15)11-33-20(18-6-8-35-31-18)9-19(30-33)21-26-10-16(25)22(27-21)32-7-5-17-14(12-32)23(34)29-28-17/h1-4,6,8-10H,5,7,11-12H2,(H2,28,29,34)
InChIKeyILRNYTWBYICLBD-UHFFFAOYSA-N
MW476.45 g/mol
LogP2.90
Rot. Bonds5

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

5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 86270162) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID86270162
Molecular FormulaC23H18F2N8O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)CC2
InChIInChI=1S/C23H18F2N8O2/c24-15-4-2-1-3-13(15)11-33-20(18-6-8-35-31-18)9-19(30-33)21-26-10-16(25)22(27-21)32-7-5-17-14(12-32)23(34)29-28-17/h1-4,6,8-10H,5,7,11-12H2,(H2,28,29,34)
InChIKeyILRNYTWBYICLBD-UHFFFAOYSA-N
XLogP2.90
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 86270162) is 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is O=c1[nH][nH]c2c1CN(c1nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc1F)CC2.
What is the InChIKey of 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is ILRNYTWBYICLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c24-15-4-2-1-3-13(15)11-33-20(18-6-8-35-31-18)9-19(30-33)21-26-10-16(25)22(27-21)32-7-5-17-14(12-32)23(34)29-28-17/h1-4,6,8-10H,5,7,11-12H2,(H2,28,29,34).
What are the key properties of 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 476.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 86270162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).