6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine

C16H20ClN3O — CID 155329638

IUPAC6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine
SMILESCC(C1CCCCC1)C(N=O)c1c(Cl)ccc2cncn12
InChIInChI=1S/C16H20ClN3O/c1-11(12-5-3-2-4-6-12)15(19-21)16-14(17)8-7-13-9-18-10-20(13)16/h7-12,15H,2-6H2,1H3
InChIKeyVMGMLDTYNDNFMD-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.01
Rot. Bonds4

About 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine

6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine (PubChem CID 155329638) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine
PubChem CID155329638
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine
SMILESCC(C1CCCCC1)C(N=O)c1c(Cl)ccc2cncn12
InChIInChI=1S/C16H20ClN3O/c1-11(12-5-3-2-4-6-12)15(19-21)16-14(17)8-7-13-9-18-10-20(13)16/h7-12,15H,2-6H2,1H3
InChIKeyVMGMLDTYNDNFMD-UHFFFAOYSA-N
XLogP5.01
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2-cyclohexylethanol
CID 122609474
cyclohexyl-(6-iodoimidazo[1,5-a]pyridin-5-yl)methanol
CID 122609554
(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134328699
(S)-cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol
CID 134337833
cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol
CID 134343800
5-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-nitrosomethyl]bicyclo[2.2.1]heptan-2-ol
CID 155329569
(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol
CID 122605038
6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
CID 122609401
(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 155631303
(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134381739
cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone
CID 122609611
5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine
CID 145166949

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine (CID 155329638) is 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine is CC(C1CCCCC1)C(N=O)c1c(Cl)ccc2cncn12.
What is the InChIKey of 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine?
The InChIKey is VMGMLDTYNDNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(12-5-3-2-4-6-12)15(19-21)16-14(17)8-7-13-9-18-10-20(13)16/h7-12,15H,2-6H2,1H3.
What are the key properties of 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine?
6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine has a molecular weight of 305.81 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-cyclohexyl-1-nitrosopropyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 155329638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).