2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine

C24H33N3 — CID 22474412

IUPAC2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)c(C)c12
InChIInChI=1S/C24H33N3/c1-9-19(10-2)26-20-13-17(6)25-23-22(20)18(7)27(8)24(23)21-15(4)11-14(3)12-16(21)5/h11-13,19,26H,9-10H2,1-8H3
InChIKeyFPAKGQNEHBZRLW-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.38
Rot. Bonds5

About 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine

2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine (PubChem CID 22474412) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
PubChem CID22474412
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)c(C)c12
InChIInChI=1S/C24H33N3/c1-9-19(10-2)26-20-13-17(6)25-23-22(20)18(7)27(8)24(23)21-15(4)11-14(3)12-16(21)5/h11-13,19,26H,9-10H2,1-8H3
InChIKeyFPAKGQNEHBZRLW-UHFFFAOYSA-N
XLogP6.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine (CID 22474412) is 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine is CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)c(C)c12.
What is the InChIKey of 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine?
The InChIKey is FPAKGQNEHBZRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-9-19(10-2)26-20-13-17(6)25-23-22(20)18(7)27(8)24(23)21-15(4)11-14(3)12-16(21)5/h11-13,19,26H,9-10H2,1-8H3.
What are the key properties of 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine?
2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine has a molecular weight of 363.55 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 22474412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).