1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine

C24H32N2O — CID 22474345

IUPAC1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)n(C)c12
InChIInChI=1S/C24H32N2O/c1-9-19(10-2)27-20-13-17(6)25-23-22(18(7)26(8)24(20)23)21-15(4)11-14(3)12-16(21)5/h11-13,19H,9-10H2,1-8H3
InChIKeyVPZJKAYZJJPYPK-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.35
Rot. Bonds5

About 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine

1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine (PubChem CID 22474345) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
PubChem CID22474345
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)n(C)c12
InChIInChI=1S/C24H32N2O/c1-9-19(10-2)27-20-13-17(6)25-23-22(18(7)26(8)24(20)23)21-15(4)11-14(3)12-16(21)5/h11-13,19H,9-10H2,1-8H3
InChIKeyVPZJKAYZJJPYPK-UHFFFAOYSA-N
XLogP6.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine (CID 22474345) is 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine is CCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)n(C)c12.
What is the InChIKey of 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine?
The InChIKey is VPZJKAYZJJPYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-9-19(10-2)27-20-13-17(6)25-23-22(18(7)26(8)24(20)23)21-15(4)11-14(3)12-16(21)5/h11-13,19H,9-10H2,1-8H3.
What are the key properties of 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine?
1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine has a molecular weight of 364.53 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 22474345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).