2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C18H23N5O2 — CID 129277930

IUPAC2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCn1cc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-23-11-14(9-20-23)25-13-4-6-22(7-5-13)17-12(2)8-15-16(21-17)10-19-18(15)24/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,24)
InChIKeyKYKNFZZMQBAAJI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277930) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277930
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCn1cc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-23-11-14(9-20-23)25-13-4-6-22(7-5-13)17-12(2)8-15-16(21-17)10-19-18(15)24/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,24)
InChIKeyKYKNFZZMQBAAJI-UHFFFAOYSA-N
XLogP1.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278259
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559
2-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277820
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731
2-[4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277802
2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277601
3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277839
2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277628
2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277639
2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 145341675

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277930) is 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CCn1cc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1.
What is the InChIKey of 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KYKNFZZMQBAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-23-11-14(9-20-23)25-13-4-6-22(7-5-13)17-12(2)8-15-16(21-17)10-19-18(15)24/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,24).
What are the key properties of 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 341.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).