3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol

C22H23FN6O — CID 134328041

IUPAC3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol
SMILESCc1cc(CNC2CC(O)C2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6O/c1-12-3-13(8-24-15-5-16(30)6-15)4-18(23)21(12)19-7-17-20(10-25-19)27-28-22(17)14-9-26-29(2)11-14/h3-4,7,9-11,15-16,24,30H,5-6,8H2,1-2H3,(H,27,28)
InChIKeySUDQWEPNLAYZPR-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.09
Rot. Bonds5

About 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol

3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol (PubChem CID 134328041) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol
PubChem CID134328041
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol
SMILESCc1cc(CNC2CC(O)C2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6O/c1-12-3-13(8-24-15-5-16(30)6-15)4-18(23)21(12)19-7-17-20(10-25-19)27-28-22(17)14-9-26-29(2)11-14/h3-4,7,9-11,15-16,24,30H,5-6,8H2,1-2H3,(H,27,28)
InChIKeySUDQWEPNLAYZPR-UHFFFAOYSA-N
XLogP3.09
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol (CID 134328041) is 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol is Cc1cc(CNC2CC(O)C2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol?
The InChIKey is SUDQWEPNLAYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-12-3-13(8-24-15-5-16(30)6-15)4-18(23)21(12)19-7-17-20(10-25-19)27-28-22(17)14-9-26-29(2)11-14/h3-4,7,9-11,15-16,24,30H,5-6,8H2,1-2H3,(H,27,28).
What are the key properties of 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol?
3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol has a molecular weight of 406.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]cyclobutan-1-ol is sourced from PubChem (CID 134328041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).