tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate

C20H20IN3O3 — CID 66823726

IUPACtert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(-c3coc4c(I)cnc(N)c34)ccc21
InChIInChI=1S/C20H20IN3O3/c1-20(2,3)27-19(25)24-7-6-12-8-11(4-5-15(12)24)13-10-26-17-14(21)9-23-18(22)16(13)17/h4-5,8-10H,6-7H2,1-3H3,(H2,22,23)
InChIKeyZQEBNNXBSVRVJW-UHFFFAOYSA-N
MW477.30 g/mol
LogP4.98
Rot. Bonds1

About tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate

tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 66823726) has the molecular formula C20H20IN3O3 and a molecular weight of 477.30 g/mol. Its IUPAC name is tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID66823726
Molecular FormulaC20H20IN3O3
Molecular Weight477.30 g/mol
Exact Mass477.05
IUPAC Nametert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(-c3coc4c(I)cnc(N)c34)ccc21
InChIInChI=1S/C20H20IN3O3/c1-20(2,3)27-19(25)24-7-6-12-8-11(4-5-15(12)24)13-10-26-17-14(21)9-23-18(22)16(13)17/h4-5,8-10H,6-7H2,1-3H3,(H2,22,23)
InChIKeyZQEBNNXBSVRVJW-UHFFFAOYSA-N
XLogP4.98
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-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

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
2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate
CID 67384228
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909
tert-butyl 5-(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydroindole-1-carboxylate
CID 25012788
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate
CID 163431571
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate (CID 66823726) is tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(-c3coc4c(I)cnc(N)c34)ccc21.
What is the InChIKey of tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is ZQEBNNXBSVRVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20IN3O3/c1-20(2,3)27-19(25)24-7-6-12-8-11(4-5-15(12)24)13-10-26-17-14(21)9-23-18(22)16(13)17/h4-5,8-10H,6-7H2,1-3H3,(H2,22,23).
What are the key properties of tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 477.30 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 66823726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).