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

C20H18FN5O2 — CID 166099386

IUPAC[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol
SMILESCC(C)Oc1ccc2[nH]nc(-c3nccc(-c4cnc(CO)c(F)c4)n3)c2c1
InChIInChI=1S/C20H18FN5O2/c1-11(2)28-13-3-4-17-14(8-13)19(26-25-17)20-22-6-5-16(24-20)12-7-15(21)18(10-27)23-9-12/h3-9,11,27H,10H2,1-2H3,(H,25,26)
InChIKeyAUGKLLCSQRMXDO-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.50
Rot. Bonds5

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

[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol (PubChem CID 166099386) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol
PubChem CID166099386
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol
SMILESCC(C)Oc1ccc2[nH]nc(-c3nccc(-c4cnc(CO)c(F)c4)n3)c2c1
InChIInChI=1S/C20H18FN5O2/c1-11(2)28-13-3-4-17-14(8-13)19(26-25-17)20-22-6-5-16(24-20)12-7-15(21)18(10-27)23-9-12/h3-9,11,27H,10H2,1-2H3,(H,25,26)
InChIKeyAUGKLLCSQRMXDO-UHFFFAOYSA-N
XLogP3.50
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol (CID 166099386) is [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol is CC(C)Oc1ccc2[nH]nc(-c3nccc(-c4cnc(CO)c(F)c4)n3)c2c1.
What is the InChIKey of [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol?
The InChIKey is AUGKLLCSQRMXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-11(2)28-13-3-4-17-14(8-13)19(26-25-17)20-22-6-5-16(24-20)12-7-15(21)18(10-27)23-9-12/h3-9,11,27H,10H2,1-2H3,(H,25,26).
What are the key properties of [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol?
[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol has a molecular weight of 379.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 166099386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).