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

C22H31N5O3 — CID 131925092

IUPAC2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CN1CCC(c3nc(C(C)C)no3)CC1)C(=O)N(C(C)C)C2
InChIInChI=1S/C22H31N5O3/c1-13(2)19-24-21(30-25-19)15-6-8-26(9-7-15)11-16-10-17-18(23-20(16)29-5)12-27(14(3)4)22(17)28/h10,13-15H,6-9,11-12H2,1-5H3
InChIKeyLUASDAPQNHVIPB-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.34
Rot. Bonds6

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

2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131925092) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131925092
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CN1CCC(c3nc(C(C)C)no3)CC1)C(=O)N(C(C)C)C2
InChIInChI=1S/C22H31N5O3/c1-13(2)19-24-21(30-25-19)15-6-8-26(9-7-15)11-16-10-17-18(23-20(16)29-5)12-27(14(3)4)22(17)28/h10,13-15H,6-9,11-12H2,1-5H3
InChIKeyLUASDAPQNHVIPB-UHFFFAOYSA-N
XLogP3.34
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]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

8a-ethyl-7-[(2-methoxy-5-oxo-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045980
3-[[(3S)-3-benzyl-5-oxopiperazin-1-yl]methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 137341207
4-[(2-methoxy-5-oxo-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-12-phenyl-1,4,8-triazacyclotetradecane-2,9-dione
CID 155915799
3-[[(3S,3aS,6aR)-3-amino-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 154816146
5-[1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134707810
(1R,9S)-5-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 172659795
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629
3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91840062
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
5-[(1-propan-2-ylindol-3-yl)methyl]-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200366
5-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200369
5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131929981

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131925092) is 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CN1CCC(c3nc(C(C)C)no3)CC1)C(=O)N(C(C)C)C2.
What is the InChIKey of 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LUASDAPQNHVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-13(2)19-24-21(30-25-19)15-6-8-26(9-7-15)11-16-10-17-18(23-20(16)29-5)12-27(14(3)4)22(17)28/h10,13-15H,6-9,11-12H2,1-5H3.
What are the key properties of 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 413.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).