(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C44H56N8O8 — CID 157433393

IUPAC(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@@H]4CCO)CC2)cn1.CCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@H]4CCO)CC2)cn1
InChIInChI=1S/2C22H28N4O4/c2*1-3-29-19-5-4-16(13-23-19)30-15-6-9-26(10-7-15)21-14(2)12-17-20(25-21)18(8-11-27)24-22(17)28/h2*4-5,12-13,15,18,27H,3,6-11H2,1-2H3,(H,24,28)/t2*18-/m10/s1
InChIKeyBQUUEIBMYPDXLB-JJMXQKMNSA-N
MW824.98 g/mol
LogP4.80
Rot. Bonds14

About (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 157433393) has the molecular formula C44H56N8O8 and a molecular weight of 824.98 g/mol. Its IUPAC name is (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID157433393
Molecular FormulaC44H56N8O8
Molecular Weight824.98 g/mol
Exact Mass824.42
IUPAC Name(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@@H]4CCO)CC2)cn1.CCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@H]4CCO)CC2)cn1
InChIInChI=1S/2C22H28N4O4/c2*1-3-29-19-5-4-16(13-23-19)30-15-6-9-26(10-7-15)21-14(2)12-17-20(25-21)18(8-11-27)24-22(17)28/h2*4-5,12-13,15,18,27H,3,6-11H2,1-2H3,(H,24,28)/t2*18-/m10/s1
InChIKeyBQUUEIBMYPDXLB-JJMXQKMNSA-N
XLogP4.80
TPSA193.62 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.98
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(hydroxymethyl)-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277962
(7R)-2-[(3R,4R)-3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(hydroxymethyl)-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129278406
[2-[6-[[4-(Hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677107
2-[(3R,4S)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277719
US9822124, Example 9
CID 118644401
US9822124, Example 5
CID 118644435
7-[[5-[(2S)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-2-pyridinyl]amino]-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156478589
2-[4-(6-Methoxypyridin-3-yl)oxypiperidin-1-yl]-3-(trifluoromethyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277426
3-(Fluoromethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277598
3-ethyl-2-[(3S,4R)-3-fluoro-4-pyridin-3-yloxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277612
3-(Difluoromethyl)-2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277619
(7S)-2-[(3R,4R)-3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(hydroxymethyl)-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277661

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 157433393) is (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@@H]4CCO)CC2)cn1.CCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@H]4CCO)CC2)cn1.
What is the InChIKey of (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BQUUEIBMYPDXLB-JJMXQKMNSA-N. The full InChI is InChI=1S/2C22H28N4O4/c2*1-3-29-19-5-4-16(13-23-19)30-15-6-9-26(10-7-15)21-14(2)12-17-20(25-21)18(8-11-27)24-22(17)28/h2*4-5,12-13,15,18,27H,3,6-11H2,1-2H3,(H,24,28)/t2*18-/m10/s1.
What are the key properties of (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 824.98 g/mol, XLogP of 4.80, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157433393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).