2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone

C21H23FN6O2 — CID 69085570

IUPAC2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OCC(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C21H23FN6O2/c1-14-10-23-21(25-16-11-24-27(2)12-16)26-20(14)15-5-6-18(17(22)9-15)30-13-19(29)28-7-3-4-8-28/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,25,26)
InChIKeyOYJPDWZOBUAUAF-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.07
Rot. Bonds6

About 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 69085570) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID69085570
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OCC(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C21H23FN6O2/c1-14-10-23-21(25-16-11-24-27(2)12-16)26-20(14)15-5-6-18(17(22)9-15)30-13-19(29)28-7-3-4-8-28/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,25,26)
InChIKeyOYJPDWZOBUAUAF-UHFFFAOYSA-N
XLogP3.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone 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-Aminopyrazole quinazoline, 7
CID 25138095
4-Aminopyrazole quinazoline, 8
CID 25138096
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
US9765058, Example 2-2-10
CID 86580572
N-[3-[4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
CID 9803699
N-[(3R)-1-[3-(3-fluoro-4-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217196
2-[2-[[3-(2-Amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 166101670
4-[2-[2-[[3-(2-Amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]piperazin-2-one
CID 166101687
4-[2-[2-[[3-(2-Amino-6-chloropyrimidin-4-yl)-1-methylpyrazol-4-yl]methyl]phenoxy]ethyl]piperazin-2-one
CID 166101880
1-[4-[4-[[9-(4-Methoxyphenyl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602846
4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
CID 41673734
Zurletrectinib
CID 156371488

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 69085570) is 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone is Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OCC(=O)N2CCCC2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is OYJPDWZOBUAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-14-10-23-21(25-16-11-24-27(2)12-16)26-20(14)15-5-6-18(17(22)9-15)30-13-19(29)28-7-3-4-8-28/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,25,26).
What are the key properties of 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 410.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 69085570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).