1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

C21H26N4O3 — CID 135154722

IUPAC1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)CN(C(C)=O)C4)CC2)cn1
InChIInChI=1S/C21H26N4O3/c1-14-10-16-12-25(15(2)26)13-19(16)23-21(14)24-8-6-17(7-9-24)28-18-4-5-20(27-3)22-11-18/h4-5,10-11,17H,6-9,12-13H2,1-3H3
InChIKeyHDCGHESCOQEDBE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (PubChem CID 135154722) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
PubChem CID135154722
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)CN(C(C)=O)C4)CC2)cn1
InChIInChI=1S/C21H26N4O3/c1-14-10-16-12-25(15(2)26)13-19(16)23-21(14)24-8-6-17(7-9-24)28-18-4-5-20(27-3)22-11-18/h4-5,10-11,17H,6-9,12-13H2,1-3H3
InChIKeyHDCGHESCOQEDBE-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (CID 135154722) is 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is COc1ccc(OC2CCN(c3nc4c(cc3C)CN(C(C)=O)C4)CC2)cn1.
What is the InChIKey of 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The InChIKey is HDCGHESCOQEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-10-16-12-25(15(2)26)13-19(16)23-21(14)24-8-6-17(7-9-24)28-18-4-5-20(27-3)22-11-18/h4-5,10-11,17H,6-9,12-13H2,1-3H3.
What are the key properties of 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 135154722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).