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

C24H29N3O4 — CID 129278482

IUPAC2-[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
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4c(c3)COC4)CC1)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C24H29N3O4/c1-15-9-21-22(11-27(24(21)29)16(2)12-28)25-23(15)26-7-5-19(6-8-26)31-20-4-3-17-13-30-14-18(17)10-20/h3-4,9-10,16,19,28H,5-8,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKIJDWRTXVUUIII-INIZCTEOSA-N
MW423.51 g/mol
LogP2.80
Rot. Bonds5

About 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

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 (PubChem CID 129278482) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID129278482
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[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
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4c(c3)COC4)CC1)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C24H29N3O4/c1-15-9-21-22(11-27(24(21)29)16(2)12-28)25-23(15)26-7-5-19(6-8-26)31-20-4-3-17-13-30-14-18(17)10-20/h3-4,9-10,16,19,28H,5-8,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKIJDWRTXVUUIII-INIZCTEOSA-N
XLogP2.80
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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

(2R)-2-[2-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]propan-1-ol
CID 129298955
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-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-(2-hydroxyethyl)-7-(hydroxymethyl)-3-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 135154818
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
(1R)-4-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methyl-3,9,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-8-one
CID 135154834
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
methyl 2-[2-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-3,4-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]acetate
CID 129278042
methyl 2-chloro-6-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 135154002
(7S)-2-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-ethyl-7-(hydroxymethyl)-3,4-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129278012
2-[4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidin-1-yl]-3,4,6-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129278083
(7R)-2-[(3S,4R)-4-(1,3-dihydro-2-benzofuran-5-yloxy)-3-fluoropiperidin-1-yl]-7-(hydroxymethyl)-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277429
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)COC4)CC1)CN([C@@H](C)CO)C2=O.
What is the InChIKey of 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?
The InChIKey is KIJDWRTXVUUIII-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-9-21-22(11-27(24(21)29)16(2)12-28)25-23(15)26-7-5-19(6-8-26)31-20-4-3-17-13-30-14-18(17)10-20/h3-4,9-10,16,19,28H,5-8,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 423.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129278482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).