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

C21H20N4O4 — CID 56874067

IUPACN-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)c1ccoc1)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H20N4O4/c1-28-20-15(11-23-19(26)14-6-9-29-13-14)10-17-18(24-20)12-25(21(17)27)8-5-16-4-2-3-7-22-16/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3,(H,23,26)
InChIKeyMCSYBEIFODRAJH-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.21
Rot. Bonds7

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

N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide (PubChem CID 56874067) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
PubChem CID56874067
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)c1ccoc1)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H20N4O4/c1-28-20-15(11-23-19(26)14-6-9-29-13-14)10-17-18(24-20)12-25(21(17)27)8-5-16-4-2-3-7-22-16/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3,(H,23,26)
InChIKeyMCSYBEIFODRAJH-UHFFFAOYSA-N
XLogP2.21
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56873233
(2S)-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]oxolane-2-carboxamide
CID 95551848
3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56866762
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,5-dimethylimidazole-4-carboxamide
CID 118775590
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56866011
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
(2R)-N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 126452903
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
CID 56865762
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
dimethyl (E)-2-[[1-oxo-2-(2-pyridin-2-ylethyl)-3H-isoindol-4-yl]amino]but-2-enedioate
CID 168567139
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide (CID 56874067) is N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide is COc1nc2c(cc1CNC(=O)c1ccoc1)C(=O)N(CCc1ccccn1)C2.
What is the InChIKey of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is MCSYBEIFODRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-20-15(11-23-19(26)14-6-9-29-13-14)10-17-18(24-20)12-25(21(17)27)8-5-16-4-2-3-7-22-16/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3,(H,23,26).
What are the key properties of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide?
N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 56874067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).