3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H22N6O2 — CID 129278521

IUPAC3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3cnc4n[nH]c(C)c4c3)CC1)CNC2=O
InChIInChI=1S/C20H22N6O2/c1-11-7-16-17(10-22-20(16)27)23-19(11)26-5-3-13(4-6-26)28-14-8-15-12(2)24-25-18(15)21-9-14/h7-9,13H,3-6,10H2,1-2H3,(H,22,27)(H,21,24,25)
InChIKeyPKSZPAWDGIHPNX-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.26
Rot. Bonds3

About 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129278521) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129278521
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3cnc4n[nH]c(C)c4c3)CC1)CNC2=O
InChIInChI=1S/C20H22N6O2/c1-11-7-16-17(10-22-20(16)27)23-19(11)26-5-3-13(4-6-26)28-14-8-15-12(2)24-25-18(15)21-9-14/h7-9,13H,3-6,10H2,1-2H3,(H,22,27)(H,21,24,25)
InChIKeyPKSZPAWDGIHPNX-UHFFFAOYSA-N
XLogP2.26
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

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CID 44179999
US10774086, Example 24
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methyl (3S)-3-[3-[(5-carbamoyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)amino]phenoxy]pyrrolidine-1-carboxylate
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3-(2-methoxyethoxy)-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 44180247
[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 66613450
N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
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2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129278521) is 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3cnc4n[nH]c(C)c4c3)CC1)CNC2=O.
What is the InChIKey of 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PKSZPAWDGIHPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-11-7-16-17(10-22-20(16)27)23-19(11)26-5-3-13(4-6-26)28-14-8-15-12(2)24-25-18(15)21-9-14/h7-9,13H,3-6,10H2,1-2H3,(H,22,27)(H,21,24,25).
What are the key properties of 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 378.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129278521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).