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

C27H25N3O4 — CID 122603393

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1cc2ccccn2c1)C(N)CC=C3
InChIInChI=1S/C27H25N3O4/c1-15(2)16-9-10-19-22(13-16)34-27(33)20-7-5-8-21(28)23(20)24(31)26(19,27)29-25(32)17-12-18-6-3-4-11-30(18)14-17/h3-7,9-15,21,33H,8,28H2,1-2H3,(H,29,32)
InChIKeyOJWNFFVHASMXMI-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.94
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide (PubChem CID 122603393) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide
PubChem CID122603393
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1cc2ccccn2c1)C(N)CC=C3
InChIInChI=1S/C27H25N3O4/c1-15(2)16-9-10-19-22(13-16)34-27(33)20-7-5-8-21(28)23(20)24(31)26(19,27)29-25(32)17-12-18-6-3-4-11-30(18)14-17/h3-7,9-15,21,33H,8,28H2,1-2H3,(H,29,32)
InChIKeyOJWNFFVHASMXMI-UHFFFAOYSA-N
XLogP2.94
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide (CID 122603393) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1cc2ccccn2c1)C(N)CC=C3.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide?
The InChIKey is OJWNFFVHASMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-15(2)16-9-10-19-22(13-16)34-27(33)20-7-5-8-21(28)23(20)24(31)26(19,27)29-25(32)17-12-18-6-3-4-11-30(18)14-17/h3-7,9-15,21,33H,8,28H2,1-2H3,(H,29,32).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.94, 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-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide is sourced from PubChem (CID 122603393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).