1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol

C20H23FN6O — CID 67949838

IUPAC1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol
SMILESCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1
InChIInChI=1S/C20H23FN6O/c1-12-10-27(11-15(23-12)20(28)7-3-8-20)16-6-5-14(21)18(24-16)17-13-4-2-9-22-19(13)26-25-17/h2,4-6,9,12,15,23,28H,3,7-8,10-11H2,1H3,(H,22,25,26)
InChIKeyAQANWUTVYXBBFD-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol

1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol (PubChem CID 67949838) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol
PubChem CID67949838
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol
SMILESCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1
InChIInChI=1S/C20H23FN6O/c1-12-10-27(11-15(23-12)20(28)7-3-8-20)16-6-5-14(21)18(24-16)17-13-4-2-9-22-19(13)26-25-17/h2,4-6,9,12,15,23,28H,3,7-8,10-11H2,1H3,(H,22,25,26)
InChIKeyAQANWUTVYXBBFD-UHFFFAOYSA-N
XLogP2.24
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol (CID 67949838) is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol is CC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC(C2(O)CCC2)N1.
What is the InChIKey of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol?
The InChIKey is AQANWUTVYXBBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-12-10-27(11-15(23-12)20(28)7-3-8-20)16-6-5-14(21)18(24-16)17-13-4-2-9-22-19(13)26-25-17/h2,4-6,9,12,15,23,28H,3,7-8,10-11H2,1H3,(H,22,25,26).
What are the key properties of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol?
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol has a molecular weight of 382.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67949838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).