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

C24H28N4O2 — CID 90614163

IUPAC3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1
InChIInChI=1S/C24H28N4O2/c1-30-20-9-6-18(7-10-20)8-11-23(29)26-16-17-28-22-5-3-2-4-21(22)24(27-28)19-12-14-25-15-13-19/h6-7,9-10,12-15H,2-5,8,11,16-17H2,1H3,(H,26,29)
InChIKeyOZSAYZGVQBJRQK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.58
Rot. Bonds8

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

3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide (PubChem CID 90614163) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
PubChem CID90614163
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1
InChIInChI=1S/C24H28N4O2/c1-30-20-9-6-18(7-10-20)8-11-23(29)26-16-17-28-22-5-3-2-4-21(22)24(27-28)19-12-14-25-15-13-19/h6-7,9-10,12-15H,2-5,8,11,16-17H2,1H3,(H,26,29)
InChIKeyOZSAYZGVQBJRQK-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614149
3-phenylsulfanyl-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 72718483
1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90614405
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 90614186
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
CID 90614165
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
2,4-dichloro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614191
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121097
3-(4-methoxyphenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55766711
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide (CID 90614163) is 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide is COc1ccc(CCC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
The InChIKey is OZSAYZGVQBJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-20-9-6-18(7-10-20)8-11-23(29)26-16-17-28-22-5-3-2-4-21(22)24(27-28)19-12-14-25-15-13-19/h6-7,9-10,12-15H,2-5,8,11,16-17H2,1H3,(H,26,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 90614163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).