5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine

C20H14F2N6O2 — CID 122520884

IUPAC5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3F)ccc2[nH]1
InChIInChI=1S/C20H14F2N6O2/c1-10-7-11-12(25-10)4-5-15(17(11)21)30-20-18(22)19(23-9-24-20)26-16-8-13(27-28-16)14-3-2-6-29-14/h2-9,25H,1H3,(H2,23,24,26,27,28)
InChIKeyBBZAFWNSAVWHIE-UHFFFAOYSA-N
MW408.37 g/mol
LogP5.06
Rot. Bonds5

About 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine

5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 122520884) has the molecular formula C20H14F2N6O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID122520884
Molecular FormulaC20H14F2N6O2
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC Name5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3F)ccc2[nH]1
InChIInChI=1S/C20H14F2N6O2/c1-10-7-11-12(25-10)4-5-15(17(11)21)30-20-18(22)19(23-9-24-20)26-16-8-13(27-28-16)14-3-2-6-29-14/h2-9,25H,1H3,(H2,23,24,26,27,28)
InChIKeyBBZAFWNSAVWHIE-UHFFFAOYSA-N
XLogP5.06
TPSA104.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 122520884) is 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccco5)[nH]n4)c3F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is BBZAFWNSAVWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O2/c1-10-7-11-12(25-10)4-5-15(17(11)21)30-20-18(22)19(23-9-24-20)26-16-8-13(27-28-16)14-3-2-6-29-14/h2-9,25H,1H3,(H2,23,24,26,27,28).
What are the key properties of 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 408.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 122520884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).