CID 58197004

C27H25FN4O — CID 58197004

IUPAC—
SMILESCN1C(=O)[C@@]2(N=C1N)c1cc(-c3cccnc3F)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m0/s1
InChIKeyDAWZTCXCSMUINX-MHZLTWQESA-N
MW440.52 g/mol
LogP3.99
Rot. Bonds1

About CID 58197004

CID 58197004 (PubChem CID 58197004) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol.

Molecular Properties

Compound NameCID 58197004
PubChem CID58197004
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name—
SMILESCN1C(=O)[C@@]2(N=C1N)c1cc(-c3cccnc3F)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m0/s1
InChIKeyDAWZTCXCSMUINX-MHZLTWQESA-N
XLogP3.99
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 44468576
(2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 44468711
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
CID 72948095
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507
2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 11990754
2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one
CID 15950666
2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one
CID 15951416
2-Amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951420

Frequently Asked Questions

What is the IUPAC name of CID 58197004?
The IUPAC name of CID 58197004 (CID 58197004) is not available.
What is the SMILES notation for CID 58197004?
The canonical SMILES for CID 58197004 is CN1C(=O)[C@@]2(N=C1N)c1cc(-c3cccnc3F)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197004?
The InChIKey is DAWZTCXCSMUINX-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25FN4O/c1-32-24(33)27(31-25(32)29)22-15-19(21-7-4-14-30-23(21)28)8-9-20(22)16-26(27)12-10-17-5-2-3-6-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,29,31)/t27-/m0/s1.
What are the key properties of CID 58197004?
CID 58197004 has a molecular weight of 440.52 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197004 is sourced from PubChem (CID 58197004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).