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

C18H24N4O2 — CID 72718459

IUPAC2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C18H24N4O2/c1-2-24-13-17(23)20-11-12-22-16-6-4-3-5-15(16)18(21-22)14-7-9-19-10-8-14/h7-10H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyBKNYOPAWGVUPNL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.98
Rot. Bonds7

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

2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (PubChem CID 72718459) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
PubChem CID72718459
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C18H24N4O2/c1-2-24-13-17(23)20-11-12-22-16-6-4-3-5-15(16)18(21-22)14-7-9-19-10-8-14/h7-10H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyBKNYOPAWGVUPNL-UHFFFAOYSA-N
XLogP1.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
CID 2476823
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 16196231
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methoxyacetamide
CID 18524028
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
CID 25124582
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309757
(2R)-N-cyclopropyl-N-[1-[1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 89939561
1-[3,3-dimethyl-6-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]ethanone
CID 90232126
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 117877390
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 117877391
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 117877392
US10071974, Example 29
CID 121346581

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (CID 72718459) is 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is CCOCC(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2.
What is the InChIKey of 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
The InChIKey is BKNYOPAWGVUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-24-13-17(23)20-11-12-22-16-6-4-3-5-15(16)18(21-22)14-7-9-19-10-8-14/h7-10H,2-6,11-13H2,1H3,(H,20,23).
What are the key properties of 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?
2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 72718459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).