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

C23H22N4O4 — CID 138661020

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1ccnnc1
InChIInChI=1S/C23H22N4O4/c1-12(2)13-6-7-15-18(10-13)31-23(30)16-4-3-5-17(24)19(16)20(28)22(15,23)27-21(29)14-8-9-25-26-11-14/h4,6-12,30H,3,5,24H2,1-2H3,(H,27,29)
InChIKeyXFZXTGSDUXUZDS-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.82
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide (PubChem CID 138661020) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
PubChem CID138661020
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1ccnnc1
InChIInChI=1S/C23H22N4O4/c1-12(2)13-6-7-15-18(10-13)31-23(30)16-4-3-5-17(24)19(16)20(28)22(15,23)27-21(29)14-8-9-25-26-11-14/h4,6-12,30H,3,5,24H2,1-2H3,(H,27,29)
InChIKeyXFZXTGSDUXUZDS-UHFFFAOYSA-N
XLogP1.82
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide?
The IUPAC name of 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) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1ccnnc1.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide?
The InChIKey is XFZXTGSDUXUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-12(2)13-6-7-15-18(10-13)31-23(30)16-4-3-5-17(24)19(16)20(28)22(15,23)27-21(29)14-8-9-25-26-11-14/h4,6-12,30H,3,5,24H2,1-2H3,(H,27,29).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 138661020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).