(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

About (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66862715) has the molecular formula C30H28FN3O4 and a molecular weight of 513.57 g/mol. Its IUPAC name is (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

Compound Name	(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
PubChem CID	66862715
Molecular Formula	C30H28FN3O4
Molecular Weight	513.57 g/mol
Exact Mass	513.21
IUPAC Name	(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
SMILES	C[C@@H]1C2=C(CC[C@H]2C(=O)N(CCO)CC(=O)c2coc3ccccc23)Cc2c1cnn2-c1ccc(F)cc1
InChI	InChI=1S/C30H28FN3O4/c1-18-24-15-32-34(21-9-7-20(31)8-10-21)26(24)14-19-6-11-23(29(18)19)30(37)33(12-13-35)16-27(36)25-17-38-28-5-3-2-4-22(25)28/h2-5,7-10,15,17-18,23,35H,6,11-14,16H2,1H3/t18-,23+/m0/s1
InChIKey	GAKXUUIATQZDNQ-FDDCHVKYSA-N
XLogP	4.83
TPSA	88.57 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.57
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The IUPAC name of (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66862715) is (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

What is the SMILES notation for (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The canonical SMILES for (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is C[C@@H]1C2=C(CC[C@H]2C(=O)N(CCO)CC(=O)c2coc3ccccc23)Cc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The InChIKey is GAKXUUIATQZDNQ-FDDCHVKYSA-N. The full InChI is InChI=1S/C30H28FN3O4/c1-18-24-15-32-34(21-9-7-20(31)8-10-21)26(24)14-19-6-11-23(29(18)19)30(37)33(12-13-35)16-27(36)25-17-38-28-5-3-2-4-22(25)28/h2-5,7-10,15,17-18,23,35H,6,11-14,16H2,1H3/t18-,23+/m0/s1.

What are the key properties of (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

(4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 513.57 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-N-[2-(1-benzofuran-3-yl)-2-oxoethyl]-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66862715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).