N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide

C18H23N5O3 — CID 56880886

IUPACN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc2c(nc1OC)CN(CC)C2=O)n1cccn1
InChIInChI=1S/C18H23N5O3/c1-4-15(23-8-6-7-20-23)16(24)19-10-12-9-13-14(21-17(12)26-3)11-22(5-2)18(13)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,24)
InChIKeyJNHAIJQETJCJLU-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.53
Rot. Bonds7

About N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 56880886) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID56880886
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc2c(nc1OC)CN(CC)C2=O)n1cccn1
InChIInChI=1S/C18H23N5O3/c1-4-15(23-8-6-7-20-23)16(24)19-10-12-9-13-14(21-17(12)26-3)11-22(5-2)18(13)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,24)
InChIKeyJNHAIJQETJCJLU-UHFFFAOYSA-N
XLogP1.53
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide with MolForge

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Related Compounds

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
(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-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70743139
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
CID 56863507
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrazol-1-ylbutanamide
CID 56752725
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702
6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56871244
6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56863474

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 56880886) is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1cc2c(nc1OC)CN(CC)C2=O)n1cccn1.
What is the InChIKey of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is JNHAIJQETJCJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-15(23-8-6-7-20-23)16(24)19-10-12-9-13-14(21-17(12)26-3)11-22(5-2)18(13)25/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 357.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 56880886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).