N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide

C24H20FN3O4 — CID 86717011

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1ccncc1F
InChIInChI=1S/C24H20FN3O4/c1-12(2)13-6-7-15-19(10-13)32-24(31)16-4-3-5-18(26)20(16)21(29)23(15,24)28-22(30)14-8-9-27-11-17(14)25/h3-12,31H,26H2,1-2H3,(H,28,30)
InChIKeyQGRRHAFTJPYOPK-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.99
Rot. Bonds3

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 86717011) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide
PubChem CID86717011
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1ccncc1F
InChIInChI=1S/C24H20FN3O4/c1-12(2)13-6-7-15-19(10-13)32-24(31)16-4-3-5-18(26)20(16)21(29)23(15,24)28-22(30)14-8-9-27-11-17(14)25/h3-12,31H,26H2,1-2H3,(H,28,30)
InChIKeyQGRRHAFTJPYOPK-UHFFFAOYSA-N
XLogP2.99
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
CID 90097624
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-methoxybenzamide
CID 86716930
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,1,1-trifluoromethanesulfonamide
CID 71487807
[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid
CID 166790261
2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
CID 151038554
N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
CID 166798215
N-[(4bS,9bS)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-5-methylsulfonyl-1H-pyrrole-2-carboxamide
CID 172566174
1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 86716900
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
CID 138661020
methyl N-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 140639208
4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 151891639
tert-butyl N-[(4bR,9bR)-1-amino-7-bromo-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 156895606

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide (CID 86717011) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1ccncc1F.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QGRRHAFTJPYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-12(2)13-6-7-15-19(10-13)32-24(31)16-4-3-5-18(26)20(16)21(29)23(15,24)28-22(30)14-8-9-27-11-17(14)25/h3-12,31H,26H2,1-2H3,(H,28,30).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 86717011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).