dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate

C21H19N3O6 — CID 22511750

IUPACdimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)cc(C(=O)OC)c1
InChIInChI=1S/C21H19N3O6/c1-10-16-15(5-4-11-9-22-24-17(11)16)30-18(10)19(25)23-14-7-12(20(26)28-2)6-13(8-14)21(27)29-3/h6-9H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVFKVREGWNAIXPN-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.90
Rot. Bonds4

About dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 22511750) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID22511750
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Namedimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)cc(C(=O)OC)c1
InChIInChI=1S/C21H19N3O6/c1-10-16-15(5-4-11-9-22-24-17(11)16)30-18(10)19(25)23-14-7-12(20(26)28-2)6-13(8-14)21(27)29-3/h6-9H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVFKVREGWNAIXPN-UHFFFAOYSA-N
XLogP2.90
TPSA123.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

N-(2-methoxyethyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 22511775
N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 22511754
8-methyl-N-(4-methylcyclohexyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 50756051
8-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 22511770
methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate
CID 175787334
3-methyl-4-oxo-N-(1H-pyrazol-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60506878
methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate
CID 171830257
methyl 4-[[(4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate
CID 19159689
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
(4E)-N-(3,5-dimethylphenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156086
2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523122
N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523044

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate (CID 22511750) is dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is VFKVREGWNAIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-10-16-15(5-4-11-9-22-24-17(11)16)30-18(10)19(25)23-14-7-12(20(26)28-2)6-13(8-14)21(27)29-3/h6-9H,4-5H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 409.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22511750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).