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

C22H28N4O3 — CID 129277501

IUPAC2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C)C4(C)C)CC2)cn1
InChIInChI=1S/C22H28N4O3/c1-14-12-17-19(22(2,3)25(4)21(17)27)24-20(14)26-10-8-15(9-11-26)29-16-6-7-18(28-5)23-13-16/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyJSNMIKRZSVDCHD-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.16
Rot. Bonds4

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

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277501) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
PubChem CID129277501
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C)C4(C)C)CC2)cn1
InChIInChI=1S/C22H28N4O3/c1-14-12-17-19(22(2,3)25(4)21(17)27)24-20(14)26-10-8-15(9-11-26)29-16-6-7-18(28-5)23-13-16/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyJSNMIKRZSVDCHD-UHFFFAOYSA-N
XLogP3.16
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 129277951
[(7S)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7-dimethyl-5-methylidene-6H-pyrrolo[3,4-b]pyridin-7-yl]methanol
CID 129302130
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 135154625
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
CID 135154104
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
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-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135154666
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
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-amino-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N,5-dimethylpyridine-3-carboxamide
CID 135154350
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
methanol;2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,4,6-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 145341676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one (CID 129277501) is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C)C4(C)C)CC2)cn1.
What is the InChIKey of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JSNMIKRZSVDCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-12-17-19(22(2,3)25(4)21(17)27)24-20(14)26-10-8-15(9-11-26)29-16-6-7-18(28-5)23-13-16/h6-7,12-13,15H,8-11H2,1-5H3.
What are the key properties of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one?
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one has a molecular weight of 396.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,6,7,7-tetramethylpyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).