[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol

C16H18N4O2 — CID 1485411

IUPAC[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCOc1ccc(CNc2c(CO)cnc3c2cnn3C)cc1
InChIInChI=1S/C16H18N4O2/c1-20-16-14(9-19-20)15(12(10-21)8-18-16)17-7-11-3-5-13(22-2)6-4-11/h3-6,8-9,21H,7,10H2,1-2H3,(H,17,18)
InChIKeyFZUIHTYEWWWINK-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.08
Rot. Bonds5

About [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol

[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol (PubChem CID 1485411) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol
PubChem CID1485411
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCOc1ccc(CNc2c(CO)cnc3c2cnn3C)cc1
InChIInChI=1S/C16H18N4O2/c1-20-16-14(9-19-20)15(12(10-21)8-18-16)17-7-11-3-5-13(22-2)6-4-11/h3-6,8-9,21H,7,10H2,1-2H3,(H,17,18)
InChIKeyFZUIHTYEWWWINK-UHFFFAOYSA-N
XLogP2.08
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol?
The IUPAC name of [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol (CID 1485411) is [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol.
What is the SMILES notation for [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol?
The canonical SMILES for [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol is COc1ccc(CNc2c(CO)cnc3c2cnn3C)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol?
The InChIKey is FZUIHTYEWWWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20-16-14(9-19-20)15(12(10-21)8-18-16)17-7-11-3-5-13(22-2)6-4-11/h3-6,8-9,21H,7,10H2,1-2H3,(H,17,18).
What are the key properties of [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol?
[4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol has a molecular weight of 298.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridin-5-yl]methanol is sourced from PubChem (CID 1485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).