4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H25N5O2 — CID 171911828

IUPAC4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2c(-c2cccnc2)nn3C)ccc1N1CCCC1
InChIInChI=1S/C23H25N5O2/c1-27-23-21(22(26-27)16-6-5-9-24-14-16)17(13-20(29)25-23)15-7-8-18(19(12-15)30-2)28-10-3-4-11-28/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,25,29)
InChIKeyLIRMBHCNYWDFIR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.57
Rot. Bonds4

About 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171911828) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID171911828
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2c(-c2cccnc2)nn3C)ccc1N1CCCC1
InChIInChI=1S/C23H25N5O2/c1-27-23-21(22(26-27)16-6-5-9-24-14-16)17(13-20(29)25-23)15-7-8-18(19(12-15)30-2)28-10-3-4-11-28/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,25,29)
InChIKeyLIRMBHCNYWDFIR-UHFFFAOYSA-N
XLogP3.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370
(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737738
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913942
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621021
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909827
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
2-[5-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-2-methoxyphenoxy]acetamide
CID 136826050
(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697768
3-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51043538

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171911828) is 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc(C2CC(=O)Nc3c2c(-c2cccnc2)nn3C)ccc1N1CCCC1.
What is the InChIKey of 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LIRMBHCNYWDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-23-21(22(26-27)16-6-5-9-24-14-16)17(13-20(29)25-23)15-7-8-18(19(12-15)30-2)28-10-3-4-11-28/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,25,29).
What are the key properties of 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 403.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171911828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).