[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone

C23H24F2N4O3S — CID 70103663

IUPAC[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H24F2N4O3S/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-33(31,32)12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28)
InChIKeyVSTVKGONRKVHFB-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.83
Rot. Bonds7

About [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone

[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone (PubChem CID 70103663) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone
PubChem CID70103663
Molecular FormulaC23H24F2N4O3S
Molecular Weight474.53 g/mol
Exact Mass474.15
IUPAC Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H24F2N4O3S/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-33(31,32)12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28)
InChIKeyVSTVKGONRKVHFB-UHFFFAOYSA-N
XLogP2.83
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone 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

[5-Amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone
CID 22262766
[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 24861476
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(2-hydroxyethylsulfonyl)phenyl]methanone
CID 67014015
2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethenesulfonamide
CID 67014428
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
CID 69404648
2-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]ethanesulfonamide
CID 69405195
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
CID 69405253
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-morpholin-4-ylprop-1-ynyl)phenyl]methanone
CID 70101142
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(dimethylamino)propyl]phenyl]methanone
CID 70102308
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]methanone
CID 70103158
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 70103313
1-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]-2-morpholin-4-ylethanone
CID 70103343

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone?
The IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone (CID 70103663) is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone.
What is the SMILES notation for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone?
The canonical SMILES for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(CCCN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone?
The InChIKey is VSTVKGONRKVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c24-17-6-7-18(19(25)14-17)21-20(23(26)28-27-21)22(30)16-5-1-3-15(13-16)4-2-8-29-9-11-33(31,32)12-10-29/h1,3,5-7,13-14H,2,4,8-12H2,(H3,26,27,28).
What are the key properties of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone?
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone has a molecular weight of 474.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenyl]methanone is sourced from PubChem (CID 70103663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).