N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

C25H22F3N5O — CID 158628068

IUPACN-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(C)(F)F)c(F)c4)cc3)cn2)cn1
InChIInChI=1S/C25H22F3N5O/c1-25(27,28)21-8-7-20(11-22(21)26)32-24(34)10-16-3-5-18(6-4-16)19-13-29-23(30-14-19)9-17-12-31-33(2)15-17/h3-8,11-15H,9-10H2,1-2H3,(H,32,34)
InChIKeyHYVOBGIGJWYGLY-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.90
Rot. Bonds7

About N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 158628068) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
PubChem CID158628068
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC NameN-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(C)(F)F)c(F)c4)cc3)cn2)cn1
InChIInChI=1S/C25H22F3N5O/c1-25(27,28)21-8-7-20(11-22(21)26)32-24(34)10-16-3-5-18(6-4-16)19-13-29-23(30-14-19)9-17-12-31-33(2)15-17/h3-8,11-15H,9-10H2,1-2H3,(H,32,34)
InChIKeyHYVOBGIGJWYGLY-UHFFFAOYSA-N
XLogP4.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide 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

N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
N-[3-(1,1-difluoroethyl)-4-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 159975103
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 157137083
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 161400584
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149072934
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159863532
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158503970
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (CID 158628068) is N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4ccc(C(C)(F)F)c(F)c4)cc3)cn2)cn1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is HYVOBGIGJWYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-25(27,28)21-8-7-20(11-22(21)26)32-24(34)10-16-3-5-18(6-4-16)19-13-29-23(30-14-19)9-17-12-31-33(2)15-17/h3-8,11-15H,9-10H2,1-2H3,(H,32,34).
What are the key properties of N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 465.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 158628068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).