1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol

C22H25FN6O — CID 134327797

IUPAC1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CNCC(C)(C)O)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H25FN6O/c1-13-5-14(8-24-12-22(2,3)30)6-17(23)20(13)18-7-16-19(10-25-18)27-28-21(16)15-9-26-29(4)11-15/h5-7,9-11,24,30H,8,12H2,1-4H3,(H,27,28)
InChIKeyVYBAQTYKELUCMD-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.33
Rot. Bonds6

About 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol

1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol (PubChem CID 134327797) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol
PubChem CID134327797
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CNCC(C)(C)O)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H25FN6O/c1-13-5-14(8-24-12-22(2,3)30)6-17(23)20(13)18-7-16-19(10-25-18)27-28-21(16)15-9-26-29(4)11-15/h5-7,9-11,24,30H,8,12H2,1-4H3,(H,27,28)
InChIKeyVYBAQTYKELUCMD-UHFFFAOYSA-N
XLogP3.33
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol (CID 134327797) is 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol is Cc1cc(CNCC(C)(C)O)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol?
The InChIKey is VYBAQTYKELUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-13-5-14(8-24-12-22(2,3)30)6-17(23)20(13)18-7-16-19(10-25-18)27-28-21(16)15-9-26-29(4)11-15/h5-7,9-11,24,30H,8,12H2,1-4H3,(H,27,28).
What are the key properties of 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol?
1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol has a molecular weight of 408.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 134327797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).