4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C19H23N5O — CID 136623258

IUPAC4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCNC1CCN(Cc2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)C1
InChIInChI=1S/C19H23N5O/c1-12-18-14(10-24-8-7-15(11-24)20-2)9-17(21-19(18)23-22-12)13-3-5-16(25)6-4-13/h3-6,9,15,20,25H,7-8,10-11H2,1-2H3,(H,21,22,23)
InChIKeyZQLZLHYVPYWTDI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.43
Rot. Bonds4

About 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 136623258) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID136623258
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCNC1CCN(Cc2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)C1
InChIInChI=1S/C19H23N5O/c1-12-18-14(10-24-8-7-15(11-24)20-2)9-17(21-19(18)23-22-12)13-3-5-16(25)6-4-13/h3-6,9,15,20,25H,7-8,10-11H2,1-2H3,(H,21,22,23)
InChIKeyZQLZLHYVPYWTDI-UHFFFAOYSA-N
XLogP2.43
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3-anilinopyrrolidin-1-yl)-hydroxymethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 137127079
4-[3-methyl-4-[[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 136623217
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
CID 81493074
2-(3-benzylpiperazin-1-yl)-1-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]ethanone
CID 136622575
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507887
6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591877
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507888
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591756
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 136623258) is 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is CNC1CCN(Cc2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)C1.
What is the InChIKey of 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is ZQLZLHYVPYWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-18-14(10-24-8-7-15(11-24)20-2)9-17(21-19(18)23-22-12)13-3-5-16(25)6-4-13/h3-6,9,15,20,25H,7-8,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 337.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 136623258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).