[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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Related Compounds

3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
Sdccggsk-0000007.P001
CID 9604943
1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2,3,4,7,8-pentaaza-cyclopenta[a]naphthalen-6-yl]-piperidin-4-ol
CID 10983515
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
Trk-IN-6
CID 155668394

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).