2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine

C22H22N4O — CID 145491812

IUPAC2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)CN)c3)cc12
InChIInChI=1S/C22H22N4O/c1-14(12-23)15-6-5-7-16(10-15)17-11-19-21(25-26-22(19)24-13-17)18-8-3-4-9-20(18)27-2/h3-11,13-14H,12,23H2,1-2H3,(H,24,25,26)
InChIKeyKYHUXELWCRTVIT-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.36
Rot. Bonds5

About 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine

2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine (PubChem CID 145491812) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
PubChem CID145491812
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)CN)c3)cc12
InChIInChI=1S/C22H22N4O/c1-14(12-23)15-6-5-7-16(10-15)17-11-19-21(25-26-22(19)24-13-17)18-8-3-4-9-20(18)27-2/h3-11,13-14H,12,23H2,1-2H3,(H,24,25,26)
InChIKeyKYHUXELWCRTVIT-UHFFFAOYSA-N
XLogP4.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
CID 59825033
(1S,2S)-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-3-methylbutane-1,2-diol
CID 59825021
2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824858
N-[2-(dimethylamino)ethyl]-2-methoxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824923
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 59824993
N-(2-cyanoethyl)-2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824991
5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 66556608
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 145491688
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 59825081
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 68662934
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine?
The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine (CID 145491812) is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine?
The canonical SMILES for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)CN)c3)cc12.
What is the InChIKey of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine?
The InChIKey is KYHUXELWCRTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14(12-23)15-6-5-7-16(10-15)17-11-19-21(25-26-22(19)24-13-17)18-8-3-4-9-20(18)27-2/h3-11,13-14H,12,23H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine?
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine has a molecular weight of 358.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine is sourced from PubChem (CID 145491812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).