7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane

C26H25F2N5O — CID 166093946

IUPAC7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2C1.Cc1nc2cc(-c3cc(-c4ccccc4)c(F)nc3N)cc(F)c2c(=O)[nH]1
InChIInChI=1S/C20H14F2N4O.C6H11N/c1-10-24-16-8-12(7-15(21)17(16)20(27)25-10)14-9-13(18(22)26-19(14)23)11-5-3-2-4-6-11;1-7-3-5-2-6(5)4-7/h2-9H,1H3,(H2,23,26)(H,24,25,27);5-6H,2-4H2,1H3
InChIKeyZWKLDGVRCUKOLB-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.39
Rot. Bonds2

About 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane

7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 166093946) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID166093946
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2C1.Cc1nc2cc(-c3cc(-c4ccccc4)c(F)nc3N)cc(F)c2c(=O)[nH]1
InChIInChI=1S/C20H14F2N4O.C6H11N/c1-10-24-16-8-12(7-15(21)17(16)20(27)25-10)14-9-13(18(22)26-19(14)23)11-5-3-2-4-6-11;1-7-3-5-2-6(5)4-7/h2-9H,1H3,(H2,23,26)(H,24,25,27);5-6H,2-4H2,1H3
InChIKeyZWKLDGVRCUKOLB-UHFFFAOYSA-N
XLogP4.39
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane with MolForge

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Launch Full Analysis

Related Compounds

7-[2-amino-5-[3-[(dimethylamino)methyl]-4-(oxan-4-yl)phenyl]-6-fluoro-3-pyridinyl]-5-fluoro-2-methyl-3H-quinazolin-4-one
CID 166093524
6-[2-amino-5-[4-(4-ethylpiperazin-1-yl)phenyl]-6-fluoro-3-pyridinyl]-4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 166093834
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one
CID 166094016
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide
CID 166093949
6-[2-amino-6-fluoro-5-[4-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-3-pyridinyl]-4-methyl-2H-isoquinolin-1-one
CID 166094514
5-amino-2-methyl-3H-quinazolin-4-one
CID 135573275
3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702343
6-fluoro-3-(8-fluoro-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166093555
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one
CID 178046218
6-[2-amino-5-[4-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]phenyl]-6-fluoro-3-pyridinyl]-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093700

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane (CID 166093946) is 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane is CN1CC2CC2C1.Cc1nc2cc(-c3cc(-c4ccccc4)c(F)nc3N)cc(F)c2c(=O)[nH]1.
What is the InChIKey of 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZWKLDGVRCUKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O.C6H11N/c1-10-24-16-8-12(7-15(21)17(16)20(27)25-10)14-9-13(18(22)26-19(14)23)11-5-3-2-4-6-11;1-7-3-5-2-6(5)4-7/h2-9H,1H3,(H2,23,26)(H,24,25,27);5-6H,2-4H2,1H3.
What are the key properties of 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane?
7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 461.52 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-5-fluoro-2-methyl-3H-quinazolin-4-one;3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166093946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).