5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

C24H25N7O4 — CID 71557807

IUPAC5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1c([C@@H](O)CN2CCC3CN(C(=O)c4ccc(-n5cnnn5)cn4)CC32)ccc2c1COC2=O
InChIInChI=1S/C24H25N7O4/c1-14-17(3-4-18-19(14)12-35-24(18)34)22(32)11-29-7-6-15-9-30(10-21(15)29)23(33)20-5-2-16(8-25-20)31-13-26-27-28-31/h2-5,8,13,15,21-22,32H,6-7,9-12H2,1H3/t15?,21?,22-/m0/s1
InChIKeyGNVGXWQIEWEACZ-KGSCVUAUSA-N
MW475.51 g/mol
LogP0.92
Rot. Bonds5

About 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one

5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (PubChem CID 71557807) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
PubChem CID71557807
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1c([C@@H](O)CN2CCC3CN(C(=O)c4ccc(-n5cnnn5)cn4)CC32)ccc2c1COC2=O
InChIInChI=1S/C24H25N7O4/c1-14-17(3-4-18-19(14)12-35-24(18)34)22(32)11-29-7-6-15-9-30(10-21(15)29)23(33)20-5-2-16(8-25-20)31-13-26-27-28-31/h2-5,8,13,15,21-22,32H,6-7,9-12H2,1H3/t15?,21?,22-/m0/s1
InChIKeyGNVGXWQIEWEACZ-KGSCVUAUSA-N
XLogP0.92
TPSA126.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one (CID 71557807) is 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is Cc1c([C@@H](O)CN2CCC3CN(C(=O)c4ccc(-n5cnnn5)cn4)CC32)ccc2c1COC2=O.
What is the InChIKey of 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The InChIKey is GNVGXWQIEWEACZ-KGSCVUAUSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-14-17(3-4-18-19(14)12-35-24(18)34)22(32)11-29-7-6-15-9-30(10-21(15)29)23(33)20-5-2-16(8-25-20)31-13-26-27-28-31/h2-5,8,13,15,21-22,32H,6-7,9-12H2,1H3/t15?,21?,22-/m0/s1.
What are the key properties of 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one?
5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 475.51 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxy-2-[5-[5-(tetrazol-1-yl)pyridine-2-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 71557807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).