[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine

C22H23FN6O — CID 170118999

IUPAC[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine
SMILESCC(C)Oc1cc(F)ccc1-c1ccc(-c2cnn(C)c2)nc1-c1cc(CN)[nH]n1
InChIInChI=1S/C22H23FN6O/c1-13(2)30-21-8-15(23)4-5-17(21)18-6-7-19(14-11-25-29(3)12-14)26-22(18)20-9-16(10-24)27-28-20/h4-9,11-13H,10,24H2,1-3H3,(H,27,28)
InChIKeyCYVMHTQFENDHTE-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.92
Rot. Bonds6

About [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine

[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine (PubChem CID 170118999) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine
PubChem CID170118999
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine
SMILESCC(C)Oc1cc(F)ccc1-c1ccc(-c2cnn(C)c2)nc1-c1cc(CN)[nH]n1
InChIInChI=1S/C22H23FN6O/c1-13(2)30-21-8-15(23)4-5-17(21)18-6-7-19(14-11-25-29(3)12-14)26-22(18)20-9-16(10-24)27-28-20/h4-9,11-13H,10,24H2,1-3H3,(H,27,28)
InChIKeyCYVMHTQFENDHTE-UHFFFAOYSA-N
XLogP3.92
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine (CID 170118999) is [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine is CC(C)Oc1cc(F)ccc1-c1ccc(-c2cnn(C)c2)nc1-c1cc(CN)[nH]n1.
What is the InChIKey of [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is CYVMHTQFENDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13(2)30-21-8-15(23)4-5-17(21)18-6-7-19(14-11-25-29(3)12-14)26-22(18)20-9-16(10-24)27-28-20/h4-9,11-13H,10,24H2,1-3H3,(H,27,28).
What are the key properties of [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine?
[3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 406.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluoro-2-propan-2-yloxyphenyl)-6-(1-methylpyrazol-4-yl)-2-pyridinyl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 170118999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).