[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

C21H24FN5O2 — CID 78321473

IUPAC[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(F)(CO)CC5)ncn4)c3c2)CC1
InChIInChI=1S/C21H24FN5O2/c1-20(4-5-20)29-14-2-3-16-15(10-14)19(26-25-16)17-11-18(24-13-23-17)27-8-6-21(22,12-28)7-9-27/h2-3,10-11,13,28H,4-9,12H2,1H3,(H,25,26)
InChIKeyLOJPMWFXEKRNDU-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.25
Rot. Bonds5

About [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 78321473) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID78321473
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(F)(CO)CC5)ncn4)c3c2)CC1
InChIInChI=1S/C21H24FN5O2/c1-20(4-5-20)29-14-2-3-16-15(10-14)19(26-25-16)17-11-18(24-13-23-17)27-8-6-21(22,12-28)7-9-27/h2-3,10-11,13,28H,4-9,12H2,1H3,(H,25,26)
InChIKeyLOJPMWFXEKRNDU-UHFFFAOYSA-N
XLogP3.25
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 78321473) is [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(F)(CO)CC5)ncn4)c3c2)CC1.
What is the InChIKey of [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is LOJPMWFXEKRNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-20(4-5-20)29-14-2-3-16-15(10-14)19(26-25-16)17-11-18(24-13-23-17)27-8-6-21(22,12-28)7-9-27/h2-3,10-11,13,28H,4-9,12H2,1H3,(H,25,26).
What are the key properties of [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
[4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 397.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 78321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).