6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide

C22H17N3O5 — CID 170508605

IUPAC6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2COc3ccccc3O2)oc(=O)c1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C22H17N3O5/c1-12-8-18(19-11-28-16-4-2-3-5-17(16)29-19)30-22(27)20(12)21(26)24-14-7-6-13-10-23-25-15(13)9-14/h2-10,19H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyAQDCYVRRMRLWTK-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.59
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170508605) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170508605
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2COc3ccccc3O2)oc(=O)c1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C22H17N3O5/c1-12-8-18(19-11-28-16-4-2-3-5-17(16)29-19)30-22(27)20(12)21(26)24-14-7-6-13-10-23-25-15(13)9-14/h2-10,19H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyAQDCYVRRMRLWTK-UHFFFAOYSA-N
XLogP3.59
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-4-yl)-4-methyl-2-oxopyran-3-carboxamide
CID 171388473
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
CID 171387221
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxopyran-3-carboxamide
CID 169416816
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(3-fluoroazetidine-1-carbonyl)-4-methylpyran-2-one
CID 170502441
3-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyran-2-one
CID 170512016
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170509972
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
CID 170505604
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide (CID 170508605) is 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(C2COc3ccccc3O2)oc(=O)c1C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is AQDCYVRRMRLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-12-8-18(19-11-28-16-4-2-3-5-17(16)29-19)30-22(27)20(12)21(26)24-14-7-6-13-10-23-25-15(13)9-14/h2-10,19H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170508605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).