2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate

C20H21N3O3 — CID 67384228

IUPAC2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1CCc2cc(-c3coc4ccnc(N)c34)ccc21
InChIInChI=1S/C20H21N3O3/c1-12(2)10-26-20(24)23-8-6-14-9-13(3-4-16(14)23)15-11-25-17-5-7-22-19(21)18(15)17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H2,21,22)
InChIKeyBRVXKXOSWKPAEX-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.23
Rot. Bonds3

About 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate

2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 67384228) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID67384228
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1CCc2cc(-c3coc4ccnc(N)c34)ccc21
InChIInChI=1S/C20H21N3O3/c1-12(2)10-26-20(24)23-8-6-14-9-13(3-4-16(14)23)15-11-25-17-5-7-22-19(21)18(15)17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H2,21,22)
InChIKeyBRVXKXOSWKPAEX-UHFFFAOYSA-N
XLogP4.23
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate
CID 67384524
tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
CID 66823726
1-[5-(4-aminofuro[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 66561010
5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
CID 121334801
1-[5-[4-amino-7-(3-methylbutyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 53468470
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3,5-dichlorophenyl)ethanone
CID 66823605
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 53468253
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 167995697
1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61170398
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
tert-butyl N-[3-[1-[2-(2,5-difluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-7-iodofuro[3,2-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 66823868
1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
CID 110447602

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate (CID 67384228) is 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate is CC(C)COC(=O)N1CCc2cc(-c3coc4ccnc(N)c34)ccc21.
What is the InChIKey of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is BRVXKXOSWKPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(2)10-26-20(24)23-8-6-14-9-13(3-4-16(14)23)15-11-25-17-5-7-22-19(21)18(15)17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H2,21,22).
What are the key properties of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 67384228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).