methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate

C21H18N2O5 — CID 170269909

IUPACmethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc[nH]c12
InChIInChI=1S/C21H18N2O5/c1-26-19(24)15-10-14(8-12-4-7-22-18(12)15)23-20(25)21(5-6-21)13-2-3-16-17(9-13)28-11-27-16/h2-4,7-10,22H,5-6,11H2,1H3,(H,23,25)
InChIKeyRPIKJNVJTQEZER-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.35
Rot. Bonds4

About methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate

methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate (PubChem CID 170269909) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
PubChem CID170269909
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Namemethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc[nH]c12
InChIInChI=1S/C21H18N2O5/c1-26-19(24)15-10-14(8-12-4-7-22-18(12)15)23-20(25)21(5-6-21)13-2-3-16-17(9-13)28-11-27-16/h2-4,7-10,22H,5-6,11H2,1H3,(H,23,25)
InChIKeyRPIKJNVJTQEZER-UHFFFAOYSA-N
XLogP3.35
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate
CID 59206350
methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198757
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(1H-pyrrol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 59207041
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166214
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160769889
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate?
The IUPAC name of methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate (CID 170269909) is methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate?
The canonical SMILES for methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate is COC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc[nH]c12.
What is the InChIKey of methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate?
The InChIKey is RPIKJNVJTQEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-26-19(24)15-10-14(8-12-4-7-22-18(12)15)23-20(25)21(5-6-21)13-2-3-16-17(9-13)28-11-27-16/h2-4,7-10,22H,5-6,11H2,1H3,(H,23,25).
What are the key properties of methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate?
methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate is sourced from PubChem (CID 170269909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).