5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine

C23H25BrN2 — CID 134381220

IUPAC5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine
SMILESBrc1ccc(C2CCC(Cc3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C23H25BrN2/c24-20-9-7-18(8-10-20)17-3-1-16(2-4-17)13-23-22(19-5-6-19)12-11-21-14-25-15-26(21)23/h7-12,14-17,19H,1-6,13H2
InChIKeyBZOASNHOECLYEU-UHFFFAOYSA-N
MW409.37 g/mol
LogP6.49
Rot. Bonds4

About 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine

5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine (PubChem CID 134381220) has the molecular formula C23H25BrN2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine
PubChem CID134381220
Molecular FormulaC23H25BrN2
Molecular Weight409.37 g/mol
Exact Mass408.12
IUPAC Name5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine
SMILESBrc1ccc(C2CCC(Cc3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/C23H25BrN2/c24-20-9-7-18(8-10-20)17-3-1-16(2-4-17)13-23-22(19-5-6-19)12-11-21-14-25-15-26(21)23/h7-12,14-17,19H,1-6,13H2
InChIKeyBZOASNHOECLYEU-UHFFFAOYSA-N
XLogP6.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromophenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134381260
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-phenylcyclohexyl)methanol
CID 134381324
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-phenylphenyl)cyclohexyl]methanol
CID 134381585
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane
CID 142308297
4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)oxymethyl]cyclohexan-1-ol
CID 155329609
4-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzonitrile
CID 134381052
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-methoxyphenyl)cyclohexyl]methanol
CID 134381765
5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine
CID 145166944
4-[4-(6-cyclopropylimidazo[1,5-a]pyridine-5-carbonyl)cyclohexyl]-N,N-dimethylbenzamide
CID 134381245
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
CID 155456102
(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134328699

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The IUPAC name of 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine (CID 134381220) is 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The canonical SMILES for 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine is Brc1ccc(C2CCC(Cc3c(C4CC4)ccc4cncn34)CC2)cc1.
What is the InChIKey of 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The InChIKey is BZOASNHOECLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2/c24-20-9-7-18(8-10-20)17-3-1-16(2-4-17)13-23-22(19-5-6-19)12-11-21-14-25-15-26(21)23/h7-12,14-17,19H,1-6,13H2.
What are the key properties of 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine?
5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine has a molecular weight of 409.37 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine is sourced from PubChem (CID 134381220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).