4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one

C17H20N2O — CID 149023190

IUPAC4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one
SMILESO=C(CCC1CC1)Cc1cc2c(cn1)C(C1CC1)=NC2
InChIInChI=1S/C17H20N2O/c20-15(6-3-11-1-2-11)8-14-7-13-9-19-17(12-4-5-12)16(13)10-18-14/h7,10-12H,1-6,8-9H2
InChIKeyQDWCOBJGJARVHL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds6

About 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one

4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one (PubChem CID 149023190) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one
PubChem CID149023190
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one
SMILESO=C(CCC1CC1)Cc1cc2c(cn1)C(C1CC1)=NC2
InChIInChI=1S/C17H20N2O/c20-15(6-3-11-1-2-11)8-14-7-13-9-19-17(12-4-5-12)16(13)10-18-14/h7,10-12H,1-6,8-9H2
InChIKeyQDWCOBJGJARVHL-UHFFFAOYSA-N
XLogP3.10
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one?
The IUPAC name of 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one (CID 149023190) is 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one.
What is the SMILES notation for 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one?
The canonical SMILES for 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one is O=C(CCC1CC1)Cc1cc2c(cn1)C(C1CC1)=NC2.
What is the InChIKey of 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one?
The InChIKey is QDWCOBJGJARVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-15(6-3-11-1-2-11)8-14-7-13-9-19-17(12-4-5-12)16(13)10-18-14/h7,10-12H,1-6,8-9H2.
What are the key properties of 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one?
4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(3-cyclopropyl-1H-pyrrolo[3,4-c]pyridin-6-yl)butan-2-one is sourced from PubChem (CID 149023190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).