N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide

C20H17N5O2 — CID 121063771

IUPACN-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc4cn[nH]c4c3)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-2-4-14(5-3-13)17-9-20(27)25(12-21-17)11-19(26)23-16-7-6-15-10-22-24-18(15)8-16/h2-10,12H,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXOGSYHXKISKCJB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.73
Rot. Bonds4

About N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide

N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063771) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121063771
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc4cn[nH]c4c3)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-2-4-14(5-3-13)17-9-20(27)25(12-21-17)11-19(26)23-16-7-6-15-10-22-24-18(15)8-16/h2-10,12H,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyXOGSYHXKISKCJB-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2359068
N-(1H-indazol-6-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1273460
N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049976
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686639
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036620
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 30935532

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063771) is N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide is Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc4cn[nH]c4c3)cn2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is XOGSYHXKISKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-2-4-14(5-3-13)17-9-20(27)25(12-21-17)11-19(26)23-16-7-6-15-10-22-24-18(15)8-16/h2-10,12H,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide?
N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).