3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C22H27N5O2 — CID 75472734

IUPAC3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)C2CCn3c(cnc3-c3ccccc3)C2)n1
InChIInChI=1S/C22H27N5O2/c1-15(2)20-25-19(29-26-20)9-6-11-23-22(28)17-10-12-27-18(13-17)14-24-21(27)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,28)
InChIKeyDDYNTEIHNBFFKG-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.37
Rot. Bonds7

About 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472734) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472734
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)C2CCn3c(cnc3-c3ccccc3)C2)n1
InChIInChI=1S/C22H27N5O2/c1-15(2)20-25-19(29-26-20)9-6-11-23-22(28)17-10-12-27-18(13-17)14-24-21(27)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,28)
InChIKeyDDYNTEIHNBFFKG-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472734) is 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CC(C)c1noc(CCCNC(=O)C2CCn3c(cnc3-c3ccccc3)C2)n1.
What is the InChIKey of 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is DDYNTEIHNBFFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(2)20-25-19(29-26-20)9-6-11-23-22(28)17-10-12-27-18(13-17)14-24-21(27)16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,28).
What are the key properties of 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).