6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one

C22H28N2O2 — CID 152744437

IUPAC6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCCC(CC)N1C(=O)C(Oc2c(C)cc(C)cc2C)c2cnc(C)cc21
InChIInChI=1S/C22H28N2O2/c1-7-17(8-2)24-19-11-16(6)23-12-18(19)21(22(24)25)26-20-14(4)9-13(3)10-15(20)5/h9-12,17,21H,7-8H2,1-6H3
InChIKeyDYKGYMBCSAWBJO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.97
Rot. Bonds5

About 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one

6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 152744437) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID152744437
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCCC(CC)N1C(=O)C(Oc2c(C)cc(C)cc2C)c2cnc(C)cc21
InChIInChI=1S/C22H28N2O2/c1-7-17(8-2)24-19-11-16(6)23-12-18(19)21(22(24)25)26-20-14(4)9-13(3)10-15(20)5/h9-12,17,21H,7-8H2,1-6H3
InChIKeyDYKGYMBCSAWBJO-UHFFFAOYSA-N
XLogP4.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one (CID 152744437) is 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one is CCC(CC)N1C(=O)C(Oc2c(C)cc(C)cc2C)c2cnc(C)cc21.
What is the InChIKey of 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is DYKGYMBCSAWBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-7-17(8-2)24-19-11-16(6)23-12-18(19)21(22(24)25)26-20-14(4)9-13(3)10-15(20)5/h9-12,17,21H,7-8H2,1-6H3.
What are the key properties of 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one?
6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 352.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 152744437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).