1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine

C26H23N3 — CID 163256511

IUPAC1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cc(C)c(Nc2ccc3ccn(-c4ccc5ccccc5c4)c3n2)c(C)c1
InChIInChI=1S/C26H23N3/c1-17-14-18(2)25(19(3)15-17)27-24-11-9-21-12-13-29(26(21)28-24)23-10-8-20-6-4-5-7-22(20)16-23/h4-16H,1-3H3,(H,27,28)
InChIKeyFWQKMQUBLPIRTE-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.85
Rot. Bonds3

About 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine

1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 163256511) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine
PubChem CID163256511
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cc(C)c(Nc2ccc3ccn(-c4ccc5ccccc5c4)c3n2)c(C)c1
InChIInChI=1S/C26H23N3/c1-17-14-18(2)25(19(3)15-17)27-24-11-9-21-12-13-29(26(21)28-24)23-10-8-20-6-4-5-7-22(20)16-23/h4-16H,1-3H3,(H,27,28)
InChIKeyFWQKMQUBLPIRTE-UHFFFAOYSA-N
XLogP6.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine (CID 163256511) is 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine is Cc1cc(C)c(Nc2ccc3ccn(-c4ccc5ccccc5c4)c3n2)c(C)c1.
What is the InChIKey of 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is FWQKMQUBLPIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-17-14-18(2)25(19(3)15-17)27-24-11-9-21-12-13-29(26(21)28-24)23-10-8-20-6-4-5-7-22(20)16-23/h4-16H,1-3H3,(H,27,28).
What are the key properties of 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine?
1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 377.49 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-(2,4,6-trimethylphenyl)pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 163256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).