N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide

C19H19N7O2 — CID 90517770

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3nc4ccccc4[nH]3)n2)n1
InChIInChI=1S/C19H19N7O2/c1-12-9-13(2)26(23-12)17-7-8-19(28)25(24-17)11-18(27)20-10-16-21-14-5-3-4-6-15(14)22-16/h3-9H,10-11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyUWSCUKULFBCSCA-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.24
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 90517770) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID90517770
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3nc4ccccc4[nH]3)n2)n1
InChIInChI=1S/C19H19N7O2/c1-12-9-13(2)26(23-12)17-7-8-19(28)25(24-17)11-18(27)20-10-16-21-14-5-3-4-6-15(14)22-16/h3-9H,10-11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyUWSCUKULFBCSCA-UHFFFAOYSA-N
XLogP1.24
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methylquinolin-4-yl)acetamide
CID 90517741
N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 21008755
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546906
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 90517737
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 98230198
N-(1H-benzimidazol-2-ylmethyl)-2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 95798015
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90517782
N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 146022159
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 90517770) is N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide is Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3nc4ccccc4[nH]3)n2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UWSCUKULFBCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12-9-13(2)26(23-12)17-7-8-19(28)25(24-17)11-18(27)20-10-16-21-14-5-3-4-6-15(14)22-16/h3-9H,10-11H2,1-2H3,(H,20,27)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 90517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).