6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

C23H27N7O2 — CID 155921917

IUPAC6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one
SMILESCc1nnc(-c2cccc(N3CNC4CC(C)C(n5cnc(C6CC6)c5)CC4C3=O)n2)o1
InChIInChI=1S/C23H27N7O2/c1-13-8-18-16(9-20(13)29-10-19(24-11-29)15-6-7-15)23(31)30(12-25-18)21-5-3-4-17(26-21)22-28-27-14(2)32-22/h3-5,10-11,13,15-16,18,20,25H,6-9,12H2,1-2H3
InChIKeyRCEJYLNQTDTHES-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.06
Rot. Bonds4

About 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one (PubChem CID 155921917) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one
PubChem CID155921917
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one
SMILESCc1nnc(-c2cccc(N3CNC4CC(C)C(n5cnc(C6CC6)c5)CC4C3=O)n2)o1
InChIInChI=1S/C23H27N7O2/c1-13-8-18-16(9-20(13)29-10-19(24-11-29)15-6-7-15)23(31)30(12-25-18)21-5-3-4-17(26-21)22-28-27-14(2)32-22/h3-5,10-11,13,15-16,18,20,25H,6-9,12H2,1-2H3
InChIKeyRCEJYLNQTDTHES-UHFFFAOYSA-N
XLogP3.06
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one (CID 155921917) is 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one is Cc1nnc(-c2cccc(N3CNC4CC(C)C(n5cnc(C6CC6)c5)CC4C3=O)n2)o1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one?
The InChIKey is RCEJYLNQTDTHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-13-8-18-16(9-20(13)29-10-19(24-11-29)15-6-7-15)23(31)30(12-25-18)21-5-3-4-17(26-21)22-28-27-14(2)32-22/h3-5,10-11,13,15-16,18,20,25H,6-9,12H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one?
6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one has a molecular weight of 433.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one is sourced from PubChem (CID 155921917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).