1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C24H22N4O3 — CID 66662221

IUPAC1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCc1nccn1-c1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1
InChIInChI=1S/C24H22N4O3/c1-16-26-11-13-28(16)18-4-2-17(3-5-18)23(7-8-23)22(30)27-12-9-24(15-27)20-6-10-25-14-19(20)21(29)31-24/h2-6,10-11,13-14H,7-9,12,15H2,1H3
InChIKeyQVHOIGMZPMAXGD-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.91
Rot. Bonds3

About 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662221) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662221
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCc1nccn1-c1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1
InChIInChI=1S/C24H22N4O3/c1-16-26-11-13-28(16)18-4-2-17(3-5-18)23(7-8-23)22(30)27-12-9-24(15-27)20-6-10-25-14-19(20)21(29)31-24/h2-6,10-11,13-14H,7-9,12,15H2,1H3
InChIKeyQVHOIGMZPMAXGD-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[1-[4-(benzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662286
1'-[1-[4-(3-aminopyrazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662258
1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661670
1'-[1-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662626
1'-[1-(4-cyclobutylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66991988
1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662614
(1R)-1'-[1-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662382
3-oxo-1'-[1-[4-[(sulfinoamino)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]
CID 118205758
1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661765
1'-[1-[4-(oxan-4-yloxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661812
propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate
CID 66991541
1'-[1-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662458

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662221) is 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is Cc1nccn1-c1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1.
What is the InChIKey of 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is QVHOIGMZPMAXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-26-11-13-28(16)18-4-2-17(3-5-18)23(7-8-23)22(30)27-12-9-24(15-27)20-6-10-25-14-19(20)21(29)31-24/h2-6,10-11,13-14H,7-9,12,15H2,1H3.
What are the key properties of 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 414.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).