N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H20N4O2 — CID 110606086

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N4O2/c23-16(22-10-9-12-5-1-4-8-15(12)22)11-19-18(24)17-13-6-2-3-7-14(13)20-21-17/h1,4-5,8H,2-3,6-7,9-11H2,(H,19,24)(H,20,21)
InChIKeyGITKBXGFOCYJLL-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.61
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110606086) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110606086
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N4O2/c23-16(22-10-9-12-5-1-4-8-15(12)22)11-19-18(24)17-13-6-2-3-7-14(13)20-21-17/h1,4-5,8H,2-3,6-7,9-11H2,(H,19,24)(H,20,21)
InChIKeyGITKBXGFOCYJLL-UHFFFAOYSA-N
XLogP1.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110623445
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71937420
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110606086) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCC(=O)N1CCc2ccccc21)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is GITKBXGFOCYJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-16(22-10-9-12-5-1-4-8-15(12)22)11-19-18(24)17-13-6-2-3-7-14(13)20-21-17/h1,4-5,8H,2-3,6-7,9-11H2,(H,19,24)(H,20,21).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110606086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).