3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide

C22H29N5O2 — CID 110627404

IUPAC3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)c2nc(C3CCCCC3)n3ccccc23)o1
InChIInChI=1S/C22H29N5O2/c1-14(2)13-17(22-26-25-15(3)29-22)23-21(28)19-18-11-7-8-12-27(18)20(24-19)16-9-5-4-6-10-16/h7-8,11-12,14,16-17H,4-6,9-10,13H2,1-3H3,(H,23,28)
InChIKeyBVFUMDLIIFQYGY-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.59
Rot. Bonds6

About 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide

3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110627404) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110627404
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)c2nc(C3CCCCC3)n3ccccc23)o1
InChIInChI=1S/C22H29N5O2/c1-14(2)13-17(22-26-25-15(3)29-22)23-21(28)19-18-11-7-8-12-27(18)20(24-19)16-9-5-4-6-10-16/h7-8,11-12,14,16-17H,4-6,9-10,13H2,1-3H3,(H,23,28)
InChIKeyBVFUMDLIIFQYGY-UHFFFAOYSA-N
XLogP4.59
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110627404) is 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide is Cc1nnc(C(CC(C)C)NC(=O)c2nc(C3CCCCC3)n3ccccc23)o1.
What is the InChIKey of 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BVFUMDLIIFQYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14(2)13-17(22-26-25-15(3)29-22)23-21(28)19-18-11-7-8-12-27(18)20(24-19)16-9-5-4-6-10-16/h7-8,11-12,14,16-17H,4-6,9-10,13H2,1-3H3,(H,23,28).
What are the key properties of 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110627404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).