2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide

C23H28N6O2 — CID 55672775

IUPAC2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3C(=O)NC(C)C)c2C)n1
InChIInChI=1S/C23H28N6O2/c1-13(2)24-22(31)18-9-7-8-10-20(18)27-21(30)12-19-16(5)28-29(17(19)6)23-25-14(3)11-15(4)26-23/h7-11,13H,12H2,1-6H3,(H,24,31)(H,27,30)
InChIKeyNNLSUKQTDIFLPS-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.22
Rot. Bonds6

About 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 55672775) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID55672775
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3C(=O)NC(C)C)c2C)n1
InChIInChI=1S/C23H28N6O2/c1-13(2)24-22(31)18-9-7-8-10-20(18)27-21(30)12-19-16(5)28-29(17(19)6)23-25-14(3)11-15(4)26-23/h7-11,13H,12H2,1-6H3,(H,24,31)(H,27,30)
InChIKeyNNLSUKQTDIFLPS-UHFFFAOYSA-N
XLogP3.22
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55766189
tert-butyl N-[[2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 55972746
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31889816
N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55581049
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119211776
N-[2-(diethylamino)propyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55675692
N-[3-(benzenesulfonamido)phenyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55705965
4-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 55802217
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylsulfanyl-1-phenylpyrazol-5-yl)acetamide
CID 71854348
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 99792583
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 30854735
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide
CID 47090245

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide (CID 55672775) is 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3C(=O)NC(C)C)c2C)n1.
What is the InChIKey of 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is NNLSUKQTDIFLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-13(2)24-22(31)18-9-7-8-10-20(18)27-21(30)12-19-16(5)28-29(17(19)6)23-25-14(3)11-15(4)26-23/h7-11,13H,12H2,1-6H3,(H,24,31)(H,27,30).
What are the key properties of 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 420.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55672775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).