3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine

C23H25N5O — CID 71055090

IUPAC3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(C3=CN=CC(CN4CCCC4)C3)cc12
InChIInChI=1S/C23H25N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,11-14,16H,4-5,8-10,15H2,1H3,(H,25,26,27)
InChIKeyKRRSOPCVQALFSA-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.16
Rot. Bonds5

About 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine

3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 71055090) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID71055090
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccccc1-c1[nH]nc2ncc(C3=CN=CC(CN4CCCC4)C3)cc12
InChIInChI=1S/C23H25N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,11-14,16H,4-5,8-10,15H2,1H3,(H,25,26,27)
InChIKeyKRRSOPCVQALFSA-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 66556608
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-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]propan-1-amine
CID 145491812
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 141182116
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59836016
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 59824993
[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 25144220
[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 59836049
formic acid;3-(2-methoxyphenyl)-5-[3-(1-methylimidazol-2-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 68662934
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
2-hydroxy-N-(2-hydroxyethyl)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 59824858

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine (CID 71055090) is 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine is COc1ccccc1-c1[nH]nc2ncc(C3=CN=CC(CN4CCCC4)C3)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KRRSOPCVQALFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-29-21-7-3-2-6-19(21)22-20-11-18(14-25-23(20)27-26-22)17-10-16(12-24-13-17)15-28-8-4-5-9-28/h2-3,6-7,11-14,16H,4-5,8-10,15H2,1H3,(H,25,26,27).
What are the key properties of 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine?
3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 387.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridin-5-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 71055090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).