2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine

C22H16FN7O — CID 56597271

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1cccnc1
InChIInChI=1S/C22H16FN7O/c23-17-6-2-1-4-15(17)13-30-20(18-7-9-31-29-18)10-19(28-30)22-26-12-16(21(24)27-22)14-5-3-8-25-11-14/h1-12H,13H2,(H2,24,26,27)
InChIKeyOFZGUXXFWOSOKR-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.83
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine (PubChem CID 56597271) has the molecular formula C22H16FN7O and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
PubChem CID56597271
Molecular FormulaC22H16FN7O
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1cccnc1
InChIInChI=1S/C22H16FN7O/c23-17-6-2-1-4-15(17)13-30-20(18-7-9-31-29-18)10-19(28-30)22-26-12-16(21(24)27-22)14-5-3-8-25-11-14/h1-12H,13H2,(H2,24,26,27)
InChIKeyOFZGUXXFWOSOKR-UHFFFAOYSA-N
XLogP3.83
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide
CID 71622426
5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 118971358
cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 144707681
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-methyl-2-phenoxypropanamide
CID 68642150
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-N-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]pyrimidine-4,5-diamine
CID 145046913
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 118697556
N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanediamide
CID 118233464
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-hydroxypyrrolidin-2-one
CID 86267521
diethyl 2-[5-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-methylpropanedioate
CID 90425434
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-5-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 87527964

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine (CID 56597271) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1cccnc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is OFZGUXXFWOSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O/c23-17-6-2-1-4-15(17)13-30-20(18-7-9-31-29-18)10-19(28-30)22-26-12-16(21(24)27-22)14-5-3-8-25-11-14/h1-12H,13H2,(H2,24,26,27).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 413.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56597271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).