5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile

C19H19N5O2 — CID 129277731

IUPAC5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
SMILESCc1cc2c(nc1N1CCC(Oc3ccc(C#N)nc3)CC1)CNC2=O
InChIInChI=1S/C19H19N5O2/c1-12-8-16-17(11-22-19(16)25)23-18(12)24-6-4-14(5-7-24)26-15-3-2-13(9-20)21-10-15/h2-3,8,10,14H,4-7,11H2,1H3,(H,22,25)
InChIKeyFOTJODPWDBVTAH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds3

About 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile

5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile (PubChem CID 129277731) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
PubChem CID129277731
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
SMILESCc1cc2c(nc1N1CCC(Oc3ccc(C#N)nc3)CC1)CNC2=O
InChIInChI=1S/C19H19N5O2/c1-12-8-16-17(11-22-19(16)25)23-18(12)24-6-4-14(5-7-24)26-15-3-2-13(9-20)21-10-15/h2-3,8,10,14H,4-7,11H2,1H3,(H,22,25)
InChIKeyFOTJODPWDBVTAH-UHFFFAOYSA-N
XLogP1.95
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile (CID 129277731) is 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile is Cc1cc2c(nc1N1CCC(Oc3ccc(C#N)nc3)CC1)CNC2=O.
What is the InChIKey of 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile?
The InChIKey is FOTJODPWDBVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-8-16-17(11-22-19(16)25)23-18(12)24-6-4-14(5-7-24)26-15-3-2-13(9-20)21-10-15/h2-3,8,10,14H,4-7,11H2,1H3,(H,22,25).
What are the key properties of 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile?
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 129277731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).