2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

C22H22Cl2N4O2 — CID 90614565

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C22H22Cl2N4O2/c23-15-8-9-20(17(24)13-15)30-14-21(29)26-11-12-28-19-7-2-1-5-16(19)22(27-28)18-6-3-4-10-25-18/h3-4,6,8-10,13H,1-2,5,7,11-12,14H2,(H,26,29)
InChIKeyQDSNZGOZKBPIIO-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.33
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (PubChem CID 90614565) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
PubChem CID90614565
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C22H22Cl2N4O2/c23-15-8-9-20(17(24)13-15)30-14-21(29)26-11-12-28-19-7-2-1-5-16(19)22(27-28)18-6-3-4-10-25-18/h3-4,6,8-10,13H,1-2,5,7,11-12,14H2,(H,26,29)
InChIKeyQDSNZGOZKBPIIO-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
2-(2,4-dichlorophenoxy)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116038
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
5-chloro-2-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614544
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
CID 90614701
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 90614568
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
2-(2,4-dichlorophenoxy)-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082149

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (CID 90614565) is 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2ccccn2)c2c1CCCC2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The InChIKey is QDSNZGOZKBPIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-15-8-9-20(17(24)13-15)30-14-21(29)26-11-12-28-19-7-2-1-5-16(19)22(27-28)18-6-3-4-10-25-18/h3-4,6,8-10,13H,1-2,5,7,11-12,14H2,(H,26,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide has a molecular weight of 445.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90614565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).