[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone

C15H19N3O — CID 154818121

IUPAC[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)[C@@H]1[C@H]3CC[C@@H]1NC3)C2
InChIInChI=1S/C15H19N3O/c1-9-4-11-7-18(8-12(11)6-16-9)15(19)14-10-2-3-13(14)17-5-10/h4,6,10,13-14,17H,2-3,5,7-8H2,1H3/t10-,13-,14+/m0/s1
InChIKeyWGJCPYCYXSSCOU-LEWSCRJBSA-N
MW257.34 g/mol
LogP1.23
Rot. Bonds1

About [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone

[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone (PubChem CID 154818121) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
PubChem CID154818121
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)[C@@H]1[C@H]3CC[C@@H]1NC3)C2
InChIInChI=1S/C15H19N3O/c1-9-4-11-7-18(8-12(11)6-16-9)15(19)14-10-2-3-13(14)17-5-10/h4,6,10,13-14,17H,2-3,5,7-8H2,1H3/t10-,13-,14+/m0/s1
InChIKeyWGJCPYCYXSSCOU-LEWSCRJBSA-N
XLogP1.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The IUPAC name of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone (CID 154818121) is [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone.
What is the SMILES notation for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The canonical SMILES for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone is Cc1cc2c(cn1)CN(C(=O)[C@@H]1[C@H]3CC[C@@H]1NC3)C2.
What is the InChIKey of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The InChIKey is WGJCPYCYXSSCOU-LEWSCRJBSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-4-11-7-18(8-12(11)6-16-9)15(19)14-10-2-3-13(14)17-5-10/h4,6,10,13-14,17H,2-3,5,7-8H2,1H3/t10-,13-,14+/m0/s1.
What are the key properties of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone is sourced from PubChem (CID 154818121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).