2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C17H23N5O3 — CID 31134617

IUPAC2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCc3[nH]nc(CC(C)(C)C)c3C2)no1
InChIInChI=1S/C17H23N5O3/c1-10-7-14(21-25-10)18-15(23)16(24)22-6-5-12-11(9-22)13(20-19-12)8-17(2,3)4/h7H,5-6,8-9H2,1-4H3,(H,19,20)(H,18,21,23)
InChIKeyZWVUILUMXAFOOR-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.82
Rot. Bonds2

About 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 31134617) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID31134617
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCc3[nH]nc(CC(C)(C)C)c3C2)no1
InChIInChI=1S/C17H23N5O3/c1-10-7-14(21-25-10)18-15(23)16(24)22-6-5-12-11(9-22)13(20-19-12)8-17(2,3)4/h7H,5-6,8-9H2,1-4H3,(H,19,20)(H,18,21,23)
InChIKeyZWVUILUMXAFOOR-UHFFFAOYSA-N
XLogP1.82
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 31134617) is 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCc3[nH]nc(CC(C)(C)C)c3C2)no1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is ZWVUILUMXAFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-7-14(21-25-10)18-15(23)16(24)22-6-5-12-11(9-22)13(20-19-12)8-17(2,3)4/h7H,5-6,8-9H2,1-4H3,(H,19,20)(H,18,21,23).
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 345.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 31134617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).