N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide

C22H24N4O4 — CID 177233337

IUPACN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1
InChIInChI=1S/C22H24N4O4/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyVCWAELVIDVDIFK-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.50
Rot. Bonds6

About N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide

N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide (PubChem CID 177233337) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
PubChem CID177233337
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1
InChIInChI=1S/C22H24N4O4/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyVCWAELVIDVDIFK-UHFFFAOYSA-N
XLogP3.50
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide?
The IUPAC name of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide (CID 177233337) is N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide?
The canonical SMILES for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2c(NC(=O)Cc3ccc4c(c3)OCCO4)n[nH]c2c1.
What is the InChIKey of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide?
The InChIKey is VCWAELVIDVDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13(2)9-20(27)23-15-4-5-16-17(12-15)25-26-22(16)24-21(28)11-14-3-6-18-19(10-14)30-8-7-29-18/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide?
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide has a molecular weight of 408.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide is sourced from PubChem (CID 177233337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).