2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

C18H17BrN4O2 — CID 91958694

IUPAC2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCCn2cc3ccccc3n2)cc2oc(Br)cc21
InChIInChI=1S/C18H17BrN4O2/c1-22-14-10-17(19)25-16(14)9-15(22)18(24)20-7-4-8-23-11-12-5-2-3-6-13(12)21-23/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,24)
InChIKeyXXIFVVSYAWFERL-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.70
Rot. Bonds5

About 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958694) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958694
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCCn2cc3ccccc3n2)cc2oc(Br)cc21
InChIInChI=1S/C18H17BrN4O2/c1-22-14-10-17(19)25-16(14)9-15(22)18(24)20-7-4-8-23-11-12-5-2-3-6-13(12)21-23/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,24)
InChIKeyXXIFVVSYAWFERL-UHFFFAOYSA-N
XLogP3.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide 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

2-bromo-N-(1-ethylpyrazol-3-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958659
2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958895
2-bromo-4-methyl-N-(5-methyl-2-propylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958679
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958685
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
2-bromo-N-(3-indazol-1-ylpropyl)-4-methoxy-1-benzofuran-6-carboxamide
CID 91958083
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958726
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958694) is 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NCCCn2cc3ccccc3n2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XXIFVVSYAWFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-22-14-10-17(19)25-16(14)9-15(22)18(24)20-7-4-8-23-11-12-5-2-3-6-13(12)21-23/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,24).
What are the key properties of 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-indazol-2-ylpropyl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).