1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C24H22N4O3 — CID 66662307

IUPAC1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCn1cc(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cn2)cn1
InChIInChI=1S/C24H22N4O3/c1-27-14-16(12-26-27)20-7-6-17(13-25-20)23(8-9-23)22(30)28-11-10-24(15-28)19-5-3-2-4-18(19)21(29)31-24/h2-7,12-14H,8-11,15H2,1H3
InChIKeyGEYXSOGJLBIVRN-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.81
Rot. Bonds3

About 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66662307) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66662307
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESCn1cc(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cn2)cn1
InChIInChI=1S/C24H22N4O3/c1-27-14-16(12-26-27)20-7-6-17(13-25-20)23(8-9-23)22(30)28-11-10-24(15-28)19-5-3-2-4-18(19)21(29)31-24/h2-7,12-14H,8-11,15H2,1H3
InChIKeyGEYXSOGJLBIVRN-UHFFFAOYSA-N
XLogP2.81
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66662307) is 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is Cn1cc(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cn2)cn1.
What is the InChIKey of 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is GEYXSOGJLBIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-27-14-16(12-26-27)20-7-6-17(13-25-20)23(8-9-23)22(30)28-11-10-24(15-28)19-5-3-2-4-18(19)21(29)31-24/h2-7,12-14H,8-11,15H2,1H3.
What are the key properties of 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 414.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66662307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).