6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C15H18N4O — CID 95119421

IUPAC6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)[C@H](c1nccn1C)N1Cc2ncccc2C1=O
InChIInChI=1S/C15H18N4O/c1-10(2)13(14-17-7-8-18(14)3)19-9-12-11(15(19)20)5-4-6-16-12/h4-8,10,13H,9H2,1-3H3/t13-/m1/s1
InChIKeyGOIOKXKBPIDCFX-CYBMUJFWSA-N
MW270.34 g/mol
LogP2.17
Rot. Bonds3

About 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 95119421) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID95119421
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)[C@H](c1nccn1C)N1Cc2ncccc2C1=O
InChIInChI=1S/C15H18N4O/c1-10(2)13(14-17-7-8-18(14)3)19-9-12-11(15(19)20)5-4-6-16-12/h4-8,10,13H,9H2,1-3H3/t13-/m1/s1
InChIKeyGOIOKXKBPIDCFX-CYBMUJFWSA-N
XLogP2.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955652
6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50981208
6-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95133154
6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50975890
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50950727
6-[(1R)-1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528186
6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955034
methyl (2R)-4-methylsulfanyl-2-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)butanoate
CID 95135313
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
6-[(1S)-1-[4-[7-[dideuterio(hydroxy)methyl]-2-methylindazol-4-yl]-2,6-difluorophenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528055
1-[2-(1-methylimidazol-2-yl)phenyl]ethanesulfinate
CID 174688200

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 95119421) is 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(C)[C@H](c1nccn1C)N1Cc2ncccc2C1=O.
What is the InChIKey of 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GOIOKXKBPIDCFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)13(14-17-7-8-18(14)3)19-9-12-11(15(19)20)5-4-6-16-12/h4-8,10,13H,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 270.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 95119421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).