N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide

C20H27N3O4 — CID 56865977

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)C1CCOCC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H27N3O4/c1-26-19-14(11-21-18(24)13-6-8-27-9-7-13)10-16-17(22-19)12-23(20(16)25)15-4-2-3-5-15/h10,13,15H,2-9,11-12H2,1H3,(H,21,24)
InChIKeyIJGFJYNMPBZDES-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.03
Rot. Bonds5

About N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide (PubChem CID 56865977) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide
PubChem CID56865977
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)C1CCOCC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H27N3O4/c1-26-19-14(11-21-18(24)13-6-8-27-9-7-13)10-16-17(22-19)12-23(20(16)25)15-4-2-3-5-15/h10,13,15H,2-9,11-12H2,1H3,(H,21,24)
InChIKeyIJGFJYNMPBZDES-UHFFFAOYSA-N
XLogP2.03
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(6-methoxy-2-pyridinyl)propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 89733997
Synthesis of (E)-2-((2-(aminomethyl)-3-fluoroallyl)oxy)-6-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 138669966
Synthesis of (Z)-2-((2-(aminomethyl)-3-fluoroallyl)oxy)-6-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 138669968
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,2-dimethylbutanamide
CID 56865714
(2S,4R)-4-amino-N-isopropyl-1-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56710509
(2S,4S)-4-amino-N-isopropyl-1-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56722535
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide
CID 56876561
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
CID 56864569
(2S)-2-amino-3-hydroxy-N-{[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl]methyl}propanamide
CID 56861095
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-cyclopropylacetamide
CID 56863871
N-{[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl]methyl}-2-oxobutanamide
CID 56863890

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide (CID 56865977) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide is COc1nc2c(cc1CNC(=O)C1CCOCC1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is IJGFJYNMPBZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-26-19-14(11-21-18(24)13-6-8-27-9-7-13)10-16-17(22-19)12-23(20(16)25)15-4-2-3-5-15/h10,13,15H,2-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 56865977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).