[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate

C24H18F2N8O3 — CID 138375362

IUPAC[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate
SMILESO=COC1c2nc[nH]c2CCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C24H18F2N8O3/c25-15-4-2-1-3-14(15)11-34-20(17-6-8-37-32-17)9-19(31-34)22-27-10-16(26)23(30-22)33-7-5-18-21(29-12-28-18)24(33)36-13-35/h1-4,6,8-10,12-13,24H,5,7,11H2,(H,28,29)
InChIKeyORHNPPLHWHBCIM-UHFFFAOYSA-N
MW504.46 g/mol
LogP3.28
Rot. Bonds7

About [5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate

[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate (PubChem CID 138375362) has the molecular formula C24H18F2N8O3 and a molecular weight of 504.46 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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate.

Molecular Properties

Compound Name[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate
PubChem CID138375362
Molecular FormulaC24H18F2N8O3
Molecular Weight504.46 g/mol
Exact Mass504.15
IUPAC Name[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate
SMILESO=COC1c2nc[nH]c2CCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C24H18F2N8O3/c25-15-4-2-1-3-14(15)11-34-20(17-6-8-37-32-17)9-19(31-34)22-27-10-16(26)23(30-22)33-7-5-18-21(29-12-28-18)24(33)36-13-35/h1-4,6,8-10,12-13,24H,5,7,11H2,(H,28,29)
InChIKeyORHNPPLHWHBCIM-UHFFFAOYSA-N
XLogP3.28
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate?
The IUPAC name of [5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate (CID 138375362) is [5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate.
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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate?
The canonical SMILES for [5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate is O=COC1c2nc[nH]c2CCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate?
The InChIKey is ORHNPPLHWHBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N8O3/c25-15-4-2-1-3-14(15)11-34-20(17-6-8-37-32-17)9-19(31-34)22-27-10-16(26)23(30-22)33-7-5-18-21(29-12-28-18)24(33)36-13-35/h1-4,6,8-10,12-13,24H,5,7,11H2,(H,28,29).
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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate?
[5-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate has a molecular weight of 504.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate is sourced from PubChem (CID 138375362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).