2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide

C22H21ClN4O3 — CID 53195985

IUPAC2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C22H21ClN4O3/c1-3-27-19-9-8-17(29-2)10-14(19)11-20(27)18-12-21(26-25-18)24-22(28)13-30-16-6-4-15(23)5-7-16/h4-12H,3,13H2,1-2H3,(H2,24,25,26,28)
InChIKeyQZRAVAQXBMCNKC-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.73
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide

2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 53195985) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID53195985
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C22H21ClN4O3/c1-3-27-19-9-8-17(29-2)10-14(19)11-20(27)18-12-21(26-25-18)24-22(28)13-30-16-6-4-15(23)5-7-16/h4-12H,3,13H2,1-2H3,(H2,24,25,26,28)
InChIKeyQZRAVAQXBMCNKC-UHFFFAOYSA-N
XLogP4.73
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide
CID 168269308
1-[(3R)-3-[[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 168287213
N-[2-[[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]amino]phenyl]propanamide
CID 168292756
N-[(3S,4S)-3-[[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]amino]oxan-4-yl]prop-2-enamide
CID 168283250
N-[3-(1-Ethyl-5-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]cyclopropanecarboxamide
CID 53195958
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide
CID 53196007
N~1~-[3-(1-ethyl-5-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]acetamide
CID 53196009
N-[3-(1-ethyl-4-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]acetamide
CID 53196135
N-[3-(1-Ethyl-6-methoxy-1H-indol-2-YL)-1H-pyrazol-5-YL]acetamide
CID 53196213
N-[3-(1-ethyl-5-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]-2-phenoxyacetamide
CID 50848595
N-[3-(1-Ethyl-1H-indol-2-YL)-1H-pyrazol-5-YL]-2-(3-methoxyphenyl)acetamide
CID 53195883
2-(2-Chloro-4-methoxyphenyl)-N-[3-(1-ethyl-1H-indol-2-YL)-1H-pyrazol-5-YL]acetamide
CID 53195921

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 53195985) is 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide is CCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc2cc(OC)ccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is QZRAVAQXBMCNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-3-27-19-9-8-17(29-2)10-14(19)11-20(27)18-12-21(26-25-18)24-22(28)13-30-16-6-4-15(23)5-7-16/h4-12H,3,13H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 53195985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).