(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C20H22N4O4 — CID 136934035

IUPAC(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1O
InChIInChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1
InChIKeyHLVQIKPORSSRAI-DGCLKSJQSA-N
MW382.42 g/mol
LogP2.25
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 136934035) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID136934035
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1O
InChIInChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1
InChIKeyHLVQIKPORSSRAI-DGCLKSJQSA-N
XLogP2.25
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 24955343
(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
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(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 53341079
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CID 58071876
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CID 58071896
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CID 58071915
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071980
(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072001
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072004
(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072012
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CID 58072033
4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072051

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 136934035) is (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1O.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HLVQIKPORSSRAI-DGCLKSJQSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 382.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(4-hydroxy-3-methoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 136934035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).