N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

C22H22N4O3 — CID 46378627

IUPACN-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)16-8-10-17(11-9-16)23-20(28)14-26-19-7-3-2-6-18(19)21(24-26)22(29)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)
InChIKeyIIFGFQJFUQFTQD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.11
Rot. Bonds5

About N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (PubChem CID 46378627) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
PubChem CID46378627
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)16-8-10-17(11-9-16)23-20(28)14-26-19-7-3-2-6-18(19)21(24-26)22(29)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)
InChIKeyIIFGFQJFUQFTQD-UHFFFAOYSA-N
XLogP3.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821389
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
N-(5-methyl-2-pyridinyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378664
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
1-(4-phenylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 50806834
N-(2,4-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378680
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (CID 46378627) is N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The InChIKey is IIFGFQJFUQFTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)16-8-10-17(11-9-16)23-20(28)14-26-19-7-3-2-6-18(19)21(24-26)22(29)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28).
What are the key properties of N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46378627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).