4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one

C40H37FN6O2 — CID 67461945

IUPAC4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1.O=C1N(c2ccc(C#Cc3cccc(F)c3)cn2)CC2CCCCN12
InChIInChI=1S/C20H18FN3O.C20H19N3O/c21-17-5-3-4-15(12-17)7-8-16-9-10-19(22-13-16)24-14-18-6-1-2-11-23(18)20(24)25;1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h3-5,9-10,12-13,18H,1-2,6,11,14H2;2-6,9,12-13,17-18H,10-11,14H2,1H3
InChIKeyMYGLKHSCDOUWOS-UHFFFAOYSA-N
MW652.77 g/mol
LogP6.55
Rot. Bonds3

About 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one

4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 67461945) has the molecular formula C40H37FN6O2 and a molecular weight of 652.77 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
PubChem CID67461945
Molecular FormulaC40H37FN6O2
Molecular Weight652.77 g/mol
Exact Mass652.30
IUPAC Name4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
SMILESCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1.O=C1N(c2ccc(C#Cc3cccc(F)c3)cn2)CC2CCCCN12
InChIInChI=1S/C20H18FN3O.C20H19N3O/c21-17-5-3-4-15(12-17)7-8-16-9-10-19(22-13-16)24-14-18-6-1-2-11-23(18)20(24)25;1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h3-5,9-10,12-13,18H,1-2,6,11,14H2;2-6,9,12-13,17-18H,10-11,14H2,1H3
InChIKeyMYGLKHSCDOUWOS-UHFFFAOYSA-N
XLogP6.55
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.77
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464032
(4S)-4-tert-butyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
CID 67437318
(3aR,6aS)-1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 58464137
6-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one
CID 53494298
6-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one;6-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one
CID 160777512
(3S,3aR,6aR)-3-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 70925641
2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 163599718
1-[5-[2-(3-chlorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one;1-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-3,4,4-trimethylimidazolidin-2-one
CID 159333721
1-[5-(2-phenylethynyl)-2-pyridinyl]-3-propan-2-yl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464044
(3aR,6aR)-1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 141382414
5,5-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]piperidin-2-one
CID 53493228
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 53384866

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one (CID 67461945) is 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one is CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1.O=C1N(c2ccc(C#Cc3cccc(F)c3)cn2)CC2CCCCN12.
What is the InChIKey of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is MYGLKHSCDOUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O.C20H19N3O/c21-17-5-3-4-15(12-17)7-8-16-9-10-19(22-13-16)24-14-18-6-1-2-11-23(18)20(24)25;1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h3-5,9-10,12-13,18H,1-2,6,11,14H2;2-6,9,12-13,17-18H,10-11,14H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one?
4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 652.77 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one;2-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 67461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).