N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

C25H19N5O6 — CID 86717078

IUPACN-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3c(cccc3[N+](=O)[O-])C(=O)C21NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C25H19N5O6/c1-13(2)14-7-8-16-19(11-14)36-25(33)20-15(5-3-6-18(20)30(34)35)21(31)24(16,25)28-22(32)17-12-29-10-4-9-26-23(29)27-17/h3-13,33H,1-2H3,(H,28,32)
InChIKeyARGMPKBKVXLJGO-UHFFFAOYSA-N
MW485.46 g/mol
LogP2.82
Rot. Bonds4

About N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 86717078) has the molecular formula C25H19N5O6 and a molecular weight of 485.46 g/mol. Its IUPAC name is N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID86717078
Molecular FormulaC25H19N5O6
Molecular Weight485.46 g/mol
Exact Mass485.13
IUPAC NameN-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3c(cccc3[N+](=O)[O-])C(=O)C21NC(=O)c1cn2cccnc2n1
InChIInChI=1S/C25H19N5O6/c1-13(2)14-7-8-16-19(11-14)36-25(33)20-15(5-3-6-18(20)30(34)35)21(31)24(16,25)28-22(32)17-12-29-10-4-9-26-23(29)27-17/h3-13,33H,1-2H3,(H,28,32)
InChIKeyARGMPKBKVXLJGO-UHFFFAOYSA-N
XLogP2.82
TPSA148.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 86717078) is N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)c3c(cccc3[N+](=O)[O-])C(=O)C21NC(=O)c1cn2cccnc2n1.
What is the InChIKey of N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ARGMPKBKVXLJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O6/c1-13(2)14-7-8-16-19(11-14)36-25(33)20-15(5-3-6-18(20)30(34)35)21(31)24(16,25)28-22(32)17-12-29-10-4-9-26-23(29)27-17/h3-13,33H,1-2H3,(H,28,32).
What are the key properties of N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 86717078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).