[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol

C20H24FN5O2 — CID 90398509

IUPAC[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(CO)CC4)ncn3)c2c1
InChIInChI=1S/C20H24FN5O2/c1-13(2)28-14-3-4-16-15(9-14)19(25-24-16)17-10-18(23-12-22-17)26-7-5-20(21,11-27)6-8-26/h3-4,9-10,12-13,27H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyLMGQSZJTTOAEKU-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.11
Rot. Bonds5

About [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol

[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 90398509) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID90398509
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(CO)CC4)ncn3)c2c1
InChIInChI=1S/C20H24FN5O2/c1-13(2)28-14-3-4-16-15(9-14)19(25-24-16)17-10-18(23-12-22-17)26-7-5-20(21,11-27)6-8-26/h3-4,9-10,12-13,27H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyLMGQSZJTTOAEKU-UHFFFAOYSA-N
XLogP3.11
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.11
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-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 90398509) is [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(F)(CO)CC4)ncn3)c2c1.
What is the InChIKey of [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is LMGQSZJTTOAEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-13(2)28-14-3-4-16-15(9-14)19(25-24-16)17-10-18(23-12-22-17)26-7-5-20(21,11-27)6-8-26/h3-4,9-10,12-13,27H,5-8,11H2,1-2H3,(H,24,25).
What are the key properties of [4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol?
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 385.44 g/mol, XLogP of 3.11, 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-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 90398509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).