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

C18H23N5O3 — CID 56867649

IUPACN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)C(C)n3cc(C)cn3)cc2C1=O
InChIInChI=1S/C18H23N5O3/c1-5-22-10-15-14(18(22)25)6-13(17(21-15)26-4)8-19-16(24)12(3)23-9-11(2)7-20-23/h6-7,9,12H,5,8,10H2,1-4H3,(H,19,24)
InChIKeyVJSODRQSVKMFDL-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.45
Rot. Bonds6

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

N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 56867649) 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-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID56867649
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-(4-methylpyrazol-1-yl)propanamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)C(C)n3cc(C)cn3)cc2C1=O
InChIInChI=1S/C18H23N5O3/c1-5-22-10-15-14(18(22)25)6-13(17(21-15)26-4)8-19-16(24)12(3)23-9-11(2)7-20-23/h6-7,9,12H,5,8,10H2,1-4H3,(H,19,24)
InChIKeyVJSODRQSVKMFDL-UHFFFAOYSA-N
XLogP1.45
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide (CID 56867649) is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide is CCN1Cc2nc(OC)c(CNC(=O)C(C)n3cc(C)cn3)cc2C1=O.
What is the InChIKey of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is VJSODRQSVKMFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-5-22-10-15-14(18(22)25)6-13(17(21-15)26-4)8-19-16(24)12(3)23-9-11(2)7-20-23/h6-7,9,12H,5,8,10H2,1-4H3,(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-(4-methylpyrazol-1-yl)propanamide?
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 1.45, 6 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-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 56867649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).