spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone

C23H22N4O2 — CID 151908927

IUPACspiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone
SMILESO=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C23H22N4O2/c28-21(26-12-11-23(14-26)20-4-2-1-3-17(20)13-29-23)22(9-10-22)18-5-7-19(8-6-18)27-16-24-15-25-27/h1-8,15-16H,9-14H2
InChIKeySUIMFOZXFCJBHV-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.96
Rot. Bonds3

About spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone

spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone (PubChem CID 151908927) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone
PubChem CID151908927
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Namespiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone
SMILESO=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C23H22N4O2/c28-21(26-12-11-23(14-26)20-4-2-1-3-17(20)13-29-23)22(9-10-22)18-5-7-19(8-6-18)27-16-24-15-25-27/h1-8,15-16H,9-14H2
InChIKeySUIMFOZXFCJBHV-UHFFFAOYSA-N
XLogP2.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 68860403
(1-pyridin-3-ylcyclobutyl)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 141133219
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-(4-thiophen-3-ylphenyl)cyclopropyl]methanone
CID 68861124
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
1'-[1-(4-pyrazol-1-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662207
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
1'-[1-(4-morpholin-4-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662748
1'-[1-(4-pyridin-4-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662397
1'-[1-[4-(3-aminopyrazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662258
(3R)-1'-[1-(4-pyridin-4-ylphenyl)cyclobutanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662267
1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione
CID 66662747

Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone?
The IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone (CID 151908927) is spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone?
The canonical SMILES for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone is O=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone?
The InChIKey is SUIMFOZXFCJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21(26-12-11-23(14-26)20-4-2-1-3-17(20)13-29-23)22(9-10-22)18-5-7-19(8-6-18)27-16-24-15-25-27/h1-8,15-16H,9-14H2.
What are the key properties of spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone?
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone has a molecular weight of 386.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-[4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 151908927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).