3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one

C31H32N6O2 — CID 158411234

IUPAC3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3)ccn1.Cc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3C)ccn1
InChIInChI=1S/C16H17N3O.C15H15N3O/c1-10-7-11(5-6-17-10)13-8-14-12(9-18-13)16(2,3)15(20)19(14)4;1-9-6-10(4-5-16-9)12-7-13-11(8-17-12)15(2,3)14(19)18-13/h5-9H,1-4H3;4-8H,1-3H3,(H,18,19)
InChIKeyGZILBQRHBVBPJX-UHFFFAOYSA-N
MW520.64 g/mol
LogP5.39
Rot. Bonds2

About 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one

3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one (PubChem CID 158411234) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
PubChem CID158411234
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3)ccn1.Cc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3C)ccn1
InChIInChI=1S/C16H17N3O.C15H15N3O/c1-10-7-11(5-6-17-10)13-8-14-12(9-18-13)16(2,3)15(20)19(14)4;1-9-6-10(4-5-16-9)12-7-13-11(8-17-12)15(2,3)14(19)18-13/h5-9H,1-4H3;4-8H,1-3H3,(H,18,19)
InChIKeyGZILBQRHBVBPJX-UHFFFAOYSA-N
XLogP5.39
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one (CID 158411234) is 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one is Cc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3)ccn1.Cc1cc(-c2cc3c(cn2)C(C)(C)C(=O)N3C)ccn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is GZILBQRHBVBPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.C15H15N3O/c1-10-7-11(5-6-17-10)13-8-14-12(9-18-13)16(2,3)15(20)19(14)4;1-9-6-10(4-5-16-9)12-7-13-11(8-17-12)15(2,3)14(19)18-13/h5-9H,1-4H3;4-8H,1-3H3,(H,18,19).
What are the key properties of 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one?
3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 520.64 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-2-one;1,3,3-trimethyl-6-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 158411234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).