5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine

C20H23BrN4O — CID 86879239

IUPAC5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Br)cc1C1CCCN1Cc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H23BrN4O/c1-13-16-9-14(11-22-20(16)24(2)23-13)12-25-8-4-5-18(25)17-10-15(21)6-7-19(17)26-3/h6-7,9-11,18H,4-5,8,12H2,1-3H3
InChIKeyJAKRXUVFZPDIOU-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.38
Rot. Bonds4

About 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine

5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 86879239) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID86879239
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC Name5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Br)cc1C1CCCN1Cc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H23BrN4O/c1-13-16-9-14(11-22-20(16)24(2)23-13)12-25-8-4-5-18(25)17-10-15(21)6-7-19(17)26-3/h6-7,9-11,18H,4-5,8,12H2,1-3H3
InChIKeyJAKRXUVFZPDIOU-UHFFFAOYSA-N
XLogP4.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95265044
2-[(2R)-2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]acetonitrile
CID 95277143
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
CID 87013478
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120848150
4-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119135164
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 56822662
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1-[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 60618845
(3S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95265049
N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 97256330

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 86879239) is 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine is COc1ccc(Br)cc1C1CCCN1Cc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is JAKRXUVFZPDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-13-16-9-14(11-22-20(16)24(2)23-13)12-25-8-4-5-18(25)17-10-15(21)6-7-19(17)26-3/h6-7,9-11,18H,4-5,8,12H2,1-3H3.
What are the key properties of 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 415.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 86879239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).