4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

C24H22FN3O3S — CID 134253984

IUPAC4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCS(=O)c1ccc(C2(NC(=O)c3cnc4c(c3)OCCN4c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H22FN3O3S/c1-32(30)20-8-2-17(3-9-20)24(10-11-24)27-23(29)16-14-21-22(26-15-16)28(12-13-31-21)19-6-4-18(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,29)
InChIKeyNYYFBFJUNZWUSK-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.91
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (PubChem CID 134253984) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
PubChem CID134253984
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCS(=O)c1ccc(C2(NC(=O)c3cnc4c(c3)OCCN4c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H22FN3O3S/c1-32(30)20-8-2-17(3-9-20)24(10-11-24)27-23(29)16-14-21-22(26-15-16)28(12-13-31-21)19-6-4-18(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,29)
InChIKeyNYYFBFJUNZWUSK-UHFFFAOYSA-N
XLogP3.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 136545691
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
4-(4-tert-butylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134254009
1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one
CID 166886708
6-[7-(4-ethyl-4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methylisoquinolin-1-one
CID 166886954
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
5-(1-benzothiophene-3-carbonylamino)-6-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1-pyridin-3-ylcyclopropyl)pyridine-3-carboxamide
CID 176510067
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[1-[4-[3-amino-5-(difluoromethyl)-2-pyridinyl]phenyl]cyclopropyl]-4-fluorobenzamide
CID 155316108
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (CID 134253984) is 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is CS(=O)c1ccc(C2(NC(=O)c3cnc4c(c3)OCCN4c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The InChIKey is NYYFBFJUNZWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-32(30)20-8-2-17(3-9-20)24(10-11-24)27-23(29)16-14-21-22(26-15-16)28(12-13-31-21)19-6-4-18(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,29).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)cyclopropyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 134253984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).