DYRK1A/B Inhibitor AnnH31

C15H13N3O — CID 9881447

IUPAC2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetonitrile
SMILESCC1=NC=CC2=C1N(C3=C2C=CC(=C3)OC)CC#N
InChIInChI=1S/C15H13N3O/c1-10-15-13(5-7-17-10)12-4-3-11(19-2)9-14(12)18(15)8-6-16/h3-5,7,9H,8H2,1-2H3
InChIKeyFCFDJQKAPLIDTQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.50
Rot. Bonds2

About DYRK1A/B Inhibitor AnnH31

DYRK1A/B Inhibitor AnnH31 (PubChem CID 9881447) has the molecular formula C15H13N3O and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetonitrile.

Molecular Properties

Compound NameDYRK1A/B Inhibitor AnnH31
PubChem CID9881447
Molecular FormulaC15H13N3O
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetonitrile
SMILESCC1=NC=CC2=C1N(C3=C2C=CC(=C3)OC)CC#N
InChIInChI=1S/C15H13N3O/c1-10-15-13(5-7-17-10)12-4-3-11(19-2)9-14(12)18(15)8-6-16/h3-5,7,9H,8H2,1-2H3
InChIKeyFCFDJQKAPLIDTQ-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Harmine
CID 5280953
Arvelexin
CID 119406
Harmine Hydrochloride
CID 5359389
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 599482
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
N-butylharmine
CID 486624
Arenarine C
CID 188439
2-(6-methoxy-1H-indol-3-yl)acetonitrile
CID 785362
3-Ethoxy-beta-carboline
CID 124477

Frequently Asked Questions

What is the IUPAC name of DYRK1A/B Inhibitor AnnH31?
The IUPAC name of DYRK1A/B Inhibitor AnnH31 (CID 9881447) is 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetonitrile.
What is the SMILES notation for DYRK1A/B Inhibitor AnnH31?
The canonical SMILES for DYRK1A/B Inhibitor AnnH31 is CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OC)CC#N.
What is the InChIKey of DYRK1A/B Inhibitor AnnH31?
The InChIKey is FCFDJQKAPLIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-15-13(5-7-17-10)12-4-3-11(19-2)9-14(12)18(15)8-6-16/h3-5,7,9H,8H2,1-2H3.
What are the key properties of DYRK1A/B Inhibitor AnnH31?
DYRK1A/B Inhibitor AnnH31 has a molecular weight of 251.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for DYRK1A/B Inhibitor AnnH31 is sourced from PubChem (CID 9881447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).