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

C22H21F2N7O — CID 90445799

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCNC3)n2)cc1-c1ccon1
InChIInChI=1S/C22H21F2N7O/c23-16-6-2-1-4-14(16)13-31-20(18-7-9-32-30-18)10-19(29-31)22-26-12-17(24)21(28-22)27-15-5-3-8-25-11-15/h1-2,4,6-7,9-10,12,15,25H,3,5,8,11,13H2,(H,26,27,28)
InChIKeyZAHJLWCPBFFSSS-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.49
Rot. Bonds6

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

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 90445799) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID90445799
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCNC3)n2)cc1-c1ccon1
InChIInChI=1S/C22H21F2N7O/c23-16-6-2-1-4-14(16)13-31-20(18-7-9-32-30-18)10-19(29-31)22-26-12-17(24)21(28-22)27-15-5-3-8-25-11-15/h1-2,4,6-7,9-10,12,15,25H,3,5,8,11,13H2,(H,26,27,28)
InChIKeyZAHJLWCPBFFSSS-UHFFFAOYSA-N
XLogP3.49
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.49
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-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine (CID 90445799) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-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-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine is Fc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCNC3)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-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is ZAHJLWCPBFFSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c23-16-6-2-1-4-14(16)13-31-20(18-7-9-32-30-18)10-19(29-31)22-26-12-17(24)21(28-22)27-15-5-3-8-25-11-15/h1-2,4,6-7,9-10,12,15,25H,3,5,8,11,13H2,(H,26,27,28).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 437.45 g/mol, XLogP of 3.49, 6 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-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 90445799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).