3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone

C22H25N5O2 — CID 42691422

IUPAC3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CC=CCC4)c3)n2)o1
InChIInChI=1S/C22H25N5O2/c1-15(2)12-19-14-20(21-24-23-16(3)29-21)25-27(19)18-9-7-8-17(13-18)22(28)26-10-5-4-6-11-26/h4-5,7-9,13-15H,6,10-12H2,1-3H3
InChIKeyYBLRNTPEBWCMMQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.83
Rot. Bonds5

About 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone (PubChem CID 42691422) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone
PubChem CID42691422
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CC=CCC4)c3)n2)o1
InChIInChI=1S/C22H25N5O2/c1-15(2)12-19-14-20(21-24-23-16(3)29-21)25-27(19)18-9-7-8-17(13-18)22(28)26-10-5-4-6-11-26/h4-5,7-9,13-15H,6,10-12H2,1-3H3
InChIKeyYBLRNTPEBWCMMQ-UHFFFAOYSA-N
XLogP3.83
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone (CID 42691422) is 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone is Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CC=CCC4)c3)n2)o1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone?
The InChIKey is YBLRNTPEBWCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(2)12-19-14-20(21-24-23-16(3)29-21)25-27(19)18-9-7-8-17(13-18)22(28)26-10-5-4-6-11-26/h4-5,7-9,13-15H,6,10-12H2,1-3H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]methanone is sourced from PubChem (CID 42691422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).