2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C23H30N4O2 — CID 163606892

IUPAC2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C(C)C)C4)CC2)cn1
InChIInChI=1S/C23H30N4O2/c1-5-17-6-7-19(13-24-17)29-18-8-10-26(11-9-18)22-16(4)12-20-21(25-22)14-27(15(2)3)23(20)28/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3
InChIKeyHCOJXPXULIJAPG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.76
Rot. Bonds5

About 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 163606892) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID163606892
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C(C)C)C4)CC2)cn1
InChIInChI=1S/C23H30N4O2/c1-5-17-6-7-19(13-24-17)29-18-8-10-26(11-9-18)22-16(4)12-20-21(25-22)14-27(15(2)3)23(20)28/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3
InChIKeyHCOJXPXULIJAPG-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(2-hydroxyethyl)-3-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277754
2-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-[(2S)-1-hydroxypropan-2-yl]-3-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129278482
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277984
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-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 159033154
2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277601
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-(3,4-dihydro-1H-isochromen-7-yloxy)piperidin-1-yl]-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 145341752
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
CID 129277501
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 163606892) is 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is CCc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C(C)C)C4)CC2)cn1.
What is the InChIKey of 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HCOJXPXULIJAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-17-6-7-19(13-24-17)29-18-8-10-26(11-9-18)22-16(4)12-20-21(25-22)14-27(15(2)3)23(20)28/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3.
What are the key properties of 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 394.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-ethyl-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 163606892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).