4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol

C16H18N4O — CID 115603275

IUPAC4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
SMILESCc1nn(C)c2ncc(CNCc3ccc(O)cc3)cc12
InChIInChI=1S/C16H18N4O/c1-11-15-7-13(10-18-16(15)20(2)19-11)9-17-8-12-3-5-14(21)6-4-12/h3-7,10,17,21H,8-9H2,1-2H3
InChIKeyYFLIOKZJAJJCFU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol

4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol (PubChem CID 115603275) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
PubChem CID115603275
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
SMILESCc1nn(C)c2ncc(CNCc3ccc(O)cc3)cc12
InChIInChI=1S/C16H18N4O/c1-11-15-7-13(10-18-16(15)20(2)19-11)9-17-8-12-3-5-14(21)6-4-12/h3-7,10,17,21H,8-9H2,1-2H3
InChIKeyYFLIOKZJAJJCFU-UHFFFAOYSA-N
XLogP2.27
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 53499067
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
CID 63771382
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol (CID 115603275) is 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol is Cc1nn(C)c2ncc(CNCc3ccc(O)cc3)cc12.
What is the InChIKey of 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol?
The InChIKey is YFLIOKZJAJJCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-15-7-13(10-18-16(15)20(2)19-11)9-17-8-12-3-5-14(21)6-4-12/h3-7,10,17,21H,8-9H2,1-2H3.
What are the key properties of 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol?
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol has a molecular weight of 282.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115603275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).