5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine

C26H34N2 — CID 170204026

IUPAC5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine
SMILESCC1=CC=C(C2=CC=CC3=CN(C4=C(C)C=C(C)CC4(C)C)C(C)N32)[C@H](C)C1
InChIInChI=1S/C26H34N2/c1-17-11-12-23(19(3)13-17)24-10-8-9-22-16-27(21(5)28(22)24)25-20(4)14-18(2)15-26(25,6)7/h8-12,14,16,19,21H,13,15H2,1-7H3/t19-,21?/m1/s1
InChIKeyLPKKWPQSOQEYIZ-YMBRHYMPSA-N
MW374.57 g/mol
LogP6.81
Rot. Bonds2

About 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine

5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine (PubChem CID 170204026) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine
PubChem CID170204026
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine
SMILESCC1=CC=C(C2=CC=CC3=CN(C4=C(C)C=C(C)CC4(C)C)C(C)N32)[C@H](C)C1
InChIInChI=1S/C26H34N2/c1-17-11-12-23(19(3)13-17)24-10-8-9-22-16-27(21(5)28(22)24)25-20(4)14-18(2)15-26(25,6)7/h8-12,14,16,19,21H,13,15H2,1-7H3/t19-,21?/m1/s1
InChIKeyLPKKWPQSOQEYIZ-YMBRHYMPSA-N
XLogP6.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine?
The IUPAC name of 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine (CID 170204026) is 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine?
The canonical SMILES for 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine is CC1=CC=C(C2=CC=CC3=CN(C4=C(C)C=C(C)CC4(C)C)C(C)N32)[C@H](C)C1.
What is the InChIKey of 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine?
The InChIKey is LPKKWPQSOQEYIZ-YMBRHYMPSA-N. The full InChI is InChI=1S/C26H34N2/c1-17-11-12-23(19(3)13-17)24-10-8-9-22-16-27(21(5)28(22)24)25-20(4)14-18(2)15-26(25,6)7/h8-12,14,16,19,21H,13,15H2,1-7H3/t19-,21?/m1/s1.
What are the key properties of 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine?
5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine has a molecular weight of 374.57 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-4,6-dimethylcyclohexa-1,3-dien-1-yl]-3-methyl-2-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 170204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).