1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one

C18H19N3O — CID 86581776

IUPAC1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1
InChIInChI=1S/C18H19N3O/c1-11-4-5-12(9-19-11)15-8-16-14(10-20-15)18(2,3)17(22)21(16)13-6-7-13/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyXHXSATVJEDCROH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.24
Rot. Bonds2

About 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one

1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one (PubChem CID 86581776) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
PubChem CID86581776
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCc1ccc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1
InChIInChI=1S/C18H19N3O/c1-11-4-5-12(9-19-11)15-8-16-14(10-20-15)18(2,3)17(22)21(16)13-6-7-13/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyXHXSATVJEDCROH-UHFFFAOYSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one (CID 86581776) is 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one is Cc1ccc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is XHXSATVJEDCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-4-5-12(9-19-11)15-8-16-14(10-20-15)18(2,3)17(22)21(16)13-6-7-13/h4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 86581776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).