4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine

C18H20N2 — CID 10801589

IUPAC4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3)c2n1
InChIInChI=1S/C18H20N2/c1-12(2)15-5-7-16(8-6-15)20-10-9-17-13(3)11-14(4)19-18(17)20/h5-12H,1-4H3
InChIKeyPCFKEZPOCNMGNB-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.77
Rot. Bonds2

About 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine

4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 10801589) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine
PubChem CID10801589
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3)c2n1
InChIInChI=1S/C18H20N2/c1-12(2)15-5-7-16(8-6-15)20-10-9-17-13(3)11-14(4)19-18(17)20/h5-12H,1-4H3
InChIKeyPCFKEZPOCNMGNB-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine (CID 10801589) is 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine is Cc1cc(C)c2ccn(-c3ccc(C(C)C)cc3)c2n1.
What is the InChIKey of 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is PCFKEZPOCNMGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12(2)15-5-7-16(8-6-15)20-10-9-17-13(3)11-14(4)19-18(17)20/h5-12H,1-4H3.
What are the key properties of 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine?
4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 264.37 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10801589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).