N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H17N3O3 — CID 7556408

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H17N3O3/c20-16(15-11-3-1-2-4-12(11)18-19-15)17-10-5-6-13-14(9-10)22-8-7-21-13/h5-6,9H,1-4,7-8H2,(H,17,20)(H,18,19)
InChIKeyLBKMHZPMWPLEEU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.31
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 7556408) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID7556408
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H17N3O3/c20-16(15-11-3-1-2-4-12(11)18-19-15)17-10-5-6-13-14(9-10)22-8-7-21-13/h5-6,9H,1-4,7-8H2,(H,17,20)(H,18,19)
InChIKeyLBKMHZPMWPLEEU-UHFFFAOYSA-N
XLogP2.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080864
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 110484924
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167806033
N-[4-(3-oxomorpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110611023
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818880
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 7556408) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LBKMHZPMWPLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(15-11-3-1-2-4-12(11)18-19-15)17-10-5-6-13-14(9-10)22-8-7-21-13/h5-6,9H,1-4,7-8H2,(H,17,20)(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 7556408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).