5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine

C24H20F2N8O — CID 90446021

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NCC3(c4ncc[nH]4)CC3)n2)cc1-c1ccon1
InChIInChI=1S/C24H20F2N8O/c25-16-4-2-1-3-15(16)13-34-20(18-5-10-35-33-18)11-19(32-34)22-29-12-17(26)21(31-22)30-14-24(6-7-24)23-27-8-9-28-23/h1-5,8-12H,6-7,13-14H2,(H,27,28)(H,29,30,31)
InChIKeyOQGIOTDIZFXKBY-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.19
Rot. Bonds8

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine (PubChem CID 90446021) has the molecular formula C24H20F2N8O and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine
PubChem CID90446021
Molecular FormulaC24H20F2N8O
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NCC3(c4ncc[nH]4)CC3)n2)cc1-c1ccon1
InChIInChI=1S/C24H20F2N8O/c25-16-4-2-1-3-15(16)13-34-20(18-5-10-35-33-18)11-19(32-34)22-29-12-17(26)21(31-22)30-14-24(6-7-24)23-27-8-9-28-23/h1-5,8-12H,6-7,13-14H2,(H,27,28)(H,29,30,31)
InChIKeyOQGIOTDIZFXKBY-UHFFFAOYSA-N
XLogP4.19
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine (CID 90446021) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine is Fc1ccccc1Cn1nc(-c2ncc(F)c(NCC3(c4ncc[nH]4)CC3)n2)cc1-c1ccon1.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine?
The InChIKey is OQGIOTDIZFXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N8O/c25-16-4-2-1-3-15(16)13-34-20(18-5-10-35-33-18)11-19(32-34)22-29-12-17(26)21(31-22)30-14-24(6-7-24)23-27-8-9-28-23/h1-5,8-12H,6-7,13-14H2,(H,27,28)(H,29,30,31).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine has a molecular weight of 474.48 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 90446021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).