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

C23H22F2N6O — CID 86267725

IUPACN-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCCC3)n2)cc1-c1ccon1
InChIInChI=1S/C23H22F2N6O/c24-17-9-5-4-6-15(17)14-31-21(19-10-11-32-30-19)12-20(29-31)23-26-13-18(25)22(28-23)27-16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14H2,(H,26,27,28)
InChIKeyGEARCVIWUQLDST-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.07
Rot. Bonds6

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

N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 86267725) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID86267725
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC NameN-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCCC3)n2)cc1-c1ccon1
InChIInChI=1S/C23H22F2N6O/c24-17-9-5-4-6-15(17)14-31-21(19-10-11-32-30-19)12-20(29-31)23-26-13-18(25)22(28-23)27-16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14H2,(H,26,27,28)
InChIKeyGEARCVIWUQLDST-UHFFFAOYSA-N
XLogP5.07
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (CID 86267725) is N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is Fc1ccccc1Cn1nc(-c2ncc(F)c(NC3CCCCC3)n2)cc1-c1ccon1.
What is the InChIKey of N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is GEARCVIWUQLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c24-17-9-5-4-6-15(17)14-31-21(19-10-11-32-30-19)12-20(29-31)23-26-13-18(25)22(28-23)27-16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14H2,(H,26,27,28).
What are the key properties of N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 436.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 86267725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).