2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

C20H19N3 — CID 144943640

IUPAC2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cc(-c3cccnc3C3=CC(C)CC=C3)cnc2[nH]1
InChIInChI=1S/C20H19N3/c1-13-5-3-6-15(9-13)19-18(7-4-8-21-19)17-11-16-10-14(2)23-20(16)22-12-17/h3-4,6-13H,5H2,1-2H3,(H,22,23)
InChIKeyKBIUIQHTLPBPJY-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.91
Rot. Bonds2

About 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 144943640) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID144943640
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cc(-c3cccnc3C3=CC(C)CC=C3)cnc2[nH]1
InChIInChI=1S/C20H19N3/c1-13-5-3-6-15(9-13)19-18(7-4-8-21-19)17-11-16-10-14(2)23-20(16)22-12-17/h3-4,6-13H,5H2,1-2H3,(H,22,23)
InChIKeyKBIUIQHTLPBPJY-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 144943640) is 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cc2cc(-c3cccnc3C3=CC(C)CC=C3)cnc2[nH]1.
What is the InChIKey of 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KBIUIQHTLPBPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-5-3-6-15(9-13)19-18(7-4-8-21-19)17-11-16-10-14(2)23-20(16)22-12-17/h3-4,6-13H,5H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 301.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(3-methylcyclohexa-1,5-dien-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 144943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).