N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

C22H23ClN4O4 — CID 50821389

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C22H23ClN4O4/c1-30-18-12-19(31-2)16(11-15(18)23)24-20(28)13-27-17-8-4-3-7-14(17)21(25-27)22(29)26-9-5-6-10-26/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,24,28)
InChIKeyDKOWJMYZWPSOOB-UHFFFAOYSA-N
MW442.90 g/mol
LogP3.58
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (PubChem CID 50821389) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
PubChem CID50821389
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C22H23ClN4O4/c1-30-18-12-19(31-2)16(11-15(18)23)24-20(28)13-27-17-8-4-3-7-14(17)21(25-27)22(29)26-9-5-6-10-26/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,24,28)
InChIKeyDKOWJMYZWPSOOB-UHFFFAOYSA-N
XLogP3.58
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
N-(2,4-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378680
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxoquinoline-3-carboxylic acid
CID 155322891
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674491
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
CID 20851579
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331153

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide (CID 50821389) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
The InChIKey is DKOWJMYZWPSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-30-18-12-19(31-2)16(11-15(18)23)24-20(28)13-27-17-8-4-3-7-14(17)21(25-27)22(29)26-9-5-6-10-26/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,24,28).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide has a molecular weight of 442.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 50821389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).