N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C20H19N3O3 — CID 177233128

IUPACN-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C20H19N3O3/c24-19(10-12-1-6-17-18(9-12)26-8-7-25-17)21-20-15-5-4-14(13-2-3-13)11-16(15)22-23-20/h1,4-6,9,11,13H,2-3,7-8,10H2,(H2,21,22,23,24)
InChIKeyJYHCFLQVLSCEMY-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.39
Rot. Bonds4

About N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 177233128) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID177233128
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C20H19N3O3/c24-19(10-12-1-6-17-18(9-12)26-8-7-25-17)21-20-15-5-4-14(13-2-3-13)11-16(15)22-23-20/h1,4-6,9,11,13H,2-3,7-8,10H2,(H2,21,22,23,24)
InChIKeyJYHCFLQVLSCEMY-UHFFFAOYSA-N
XLogP3.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
CID 177233337
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
CID 177233360
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
N-(7-chloro-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233484
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(oxolan-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233438
N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233182

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 177233128) is N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2cc(C3CC3)ccc12.
What is the InChIKey of N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JYHCFLQVLSCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(10-12-1-6-17-18(9-12)26-8-7-25-17)21-20-15-5-4-14(13-2-3-13)11-16(15)22-23-20/h1,4-6,9,11,13H,2-3,7-8,10H2,(H2,21,22,23,24).
What are the key properties of N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 177233128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).