N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide

C22H22N6O2 — CID 56531397

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ncc(=O)c3ccccc32)n(-c2ccccn2)n1
InChIInChI=1S/C22H22N6O2/c1-22(2,3)18-12-20(28(26-18)19-10-6-7-11-23-19)25-21(30)14-27-16-9-5-4-8-15(16)17(29)13-24-27/h4-13H,14H2,1-3H3,(H,25,30)
InChIKeyPXOAPOQVOPRVOU-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.91
Rot. Bonds4

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 56531397) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID56531397
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ncc(=O)c3ccccc32)n(-c2ccccn2)n1
InChIInChI=1S/C22H22N6O2/c1-22(2,3)18-12-20(28(26-18)19-10-6-7-11-23-19)25-21(30)14-27-16-9-5-4-8-15(16)17(29)13-24-27/h4-13H,14H2,1-3H3,(H,25,30)
InChIKeyPXOAPOQVOPRVOU-UHFFFAOYSA-N
XLogP2.91
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 56551243
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56550822
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
CID 56531767
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 56531790
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide (CID 56531397) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cn2ncc(=O)c3ccccc32)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is PXOAPOQVOPRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-22(2,3)18-12-20(28(26-18)19-10-6-7-11-23-19)25-21(30)14-27-16-9-5-4-8-15(16)17(29)13-24-27/h4-13H,14H2,1-3H3,(H,25,30).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 402.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 56531397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).