N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

C26H24FN9O — CID 166632933

IUPACN-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)n[nH]1
InChIInChI=1S/C26H24FN9O/c1-16-11-24(35-34-16)32-23-13-22(18-14-28-36(2)15-18)31-26(33-23)29-19-9-7-17(8-10-19)12-25(37)30-21-6-4-3-5-20(21)27/h3-11,13-15H,12H2,1-2H3,(H,30,37)(H3,29,31,32,33,34,35)
InChIKeyFUTQAGPRSJHPBK-UHFFFAOYSA-N
MW497.54 g/mol
LogP4.72
Rot. Bonds8

About N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 166632933) has the molecular formula C26H24FN9O and a molecular weight of 497.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID166632933
Molecular FormulaC26H24FN9O
Molecular Weight497.54 g/mol
Exact Mass497.21
IUPAC NameN-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)n[nH]1
InChIInChI=1S/C26H24FN9O/c1-16-11-24(35-34-16)32-23-13-22(18-14-28-36(2)15-18)31-26(33-23)29-19-9-7-17(8-10-19)12-25(37)30-21-6-4-3-5-20(21)27/h3-11,13-15H,12H2,1-2H3,(H,30,37)(H3,29,31,32,33,34,35)
InChIKeyFUTQAGPRSJHPBK-UHFFFAOYSA-N
XLogP4.72
TPSA125.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 166632933) is N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is Cc1cc(Nc2cc(-c3cnn(C)c3)nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is FUTQAGPRSJHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN9O/c1-16-11-24(35-34-16)32-23-13-22(18-14-28-36(2)15-18)31-26(33-23)29-19-9-7-17(8-10-19)12-25(37)30-21-6-4-3-5-20(21)27/h3-11,13-15H,12H2,1-2H3,(H,30,37)(H3,29,31,32,33,34,35).
What are the key properties of N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 497.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166632933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).