4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C19H17FN6O — CID 162760999

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(CC3COC3)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C19H17FN6O/c1-11-4-14(15-6-22-24-19(15)23-11)16-8-26(7-12-9-27-10-12)25-18(16)17-3-2-13(20)5-21-17/h2-6,8,12H,7,9-10H2,1H3,(H,22,23,24)
InChIKeyANPFMGABZQOLNW-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.98
Rot. Bonds4

About 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760999) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760999
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(CC3COC3)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C19H17FN6O/c1-11-4-14(15-6-22-24-19(15)23-11)16-8-26(7-12-9-27-10-12)25-18(16)17-3-2-13(20)5-21-17/h2-6,8,12H,7,9-10H2,1H3,(H,22,23,24)
InChIKeyANPFMGABZQOLNW-UHFFFAOYSA-N
XLogP2.98
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760999) is 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2cn(CC3COC3)nc2-c2ccc(F)cn2)c2cn[nH]c2n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is ANPFMGABZQOLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-11-4-14(15-6-22-24-19(15)23-11)16-8-26(7-12-9-27-10-12)25-18(16)17-3-2-13(20)5-21-17/h2-6,8,12H,7,9-10H2,1H3,(H,22,23,24).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 364.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).