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

C22H23FN4O2 — CID 90614149

IUPAC2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C22H23FN4O2/c23-17-5-7-18(8-6-17)29-15-21(28)25-13-14-27-20-4-2-1-3-19(20)22(26-27)16-9-11-24-12-10-16/h5-12H,1-4,13-15H2,(H,25,28)
InChIKeyNPDDHXZGNUWODH-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.16
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (PubChem CID 90614149) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
PubChem CID90614149
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C22H23FN4O2/c23-17-5-7-18(8-6-17)29-15-21(28)25-13-14-27-20-4-2-1-3-19(20)22(26-27)16-9-11-24-12-10-16/h5-12H,1-4,13-15H2,(H,25,28)
InChIKeyNPDDHXZGNUWODH-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90614163
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 72718489
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
3-phenylsulfanyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 72718483
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
CID 90614165
2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 126852859
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
2-(4-chlorophenoxy)-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078498
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
3-methoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614282

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (CID 90614149) is 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)c2c1CCCC2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The InChIKey is NPDDHXZGNUWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-17-5-7-18(8-6-17)29-15-21(28)25-13-14-27-20-4-2-1-3-19(20)22(26-27)16-9-11-24-12-10-16/h5-12H,1-4,13-15H2,(H,25,28).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90614149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).