2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide

C28H31N5O2 — CID 59824993

IUPAC2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)C(=O)N(C)C4CCN(C)C4)c3)cc12
InChIInChI=1S/C28H31N5O2/c1-18(28(34)33(3)22-12-13-32(2)17-22)19-8-7-9-20(14-19)21-15-24-26(30-31-27(24)29-16-21)23-10-5-6-11-25(23)35-4/h5-11,14-16,18,22H,12-13,17H2,1-4H3,(H,29,30,31)
InChIKeyBUTYVBGDBWUNKO-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.57
Rot. Bonds6

About 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide

2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 59824993) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID59824993
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)C(=O)N(C)C4CCN(C)C4)c3)cc12
InChIInChI=1S/C28H31N5O2/c1-18(28(34)33(3)22-12-13-32(2)17-22)19-8-7-9-20(14-19)21-15-24-26(30-31-27(24)29-16-21)23-10-5-6-11-25(23)35-4/h5-11,14-16,18,22H,12-13,17H2,1-4H3,(H,29,30,31)
InChIKeyBUTYVBGDBWUNKO-UHFFFAOYSA-N
XLogP4.57
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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-amino-1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethanol
CID 59825033
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
CID 145491812
N-(2-cyanoethyl)-2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824991
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 66556608
formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 68662934

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide (CID 59824993) is 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)C(=O)N(C)C4CCN(C)C4)c3)cc12.
What is the InChIKey of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is BUTYVBGDBWUNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18(28(34)33(3)22-12-13-32(2)17-22)19-8-7-9-20(14-19)21-15-24-26(30-31-27(24)29-16-21)23-10-5-6-11-25(23)35-4/h5-11,14-16,18,22H,12-13,17H2,1-4H3,(H,29,30,31).
What are the key properties of 2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 59824993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).