2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone

C21H21ClF2N6O3 — CID 166101670

IUPAC2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESNc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCC(=O)N2CCOCC2)n1
InChIInChI=1S/C21H21ClF2N6O3/c22-17-10-15(26-21(25)27-17)19-14(11-30(28-19)20(23)24)9-13-3-1-2-4-16(13)33-12-18(31)29-5-7-32-8-6-29/h1-4,10-11,20H,5-9,12H2,(H2,25,26,27)
InChIKeyYIIRCSQUJPUWPZ-UHFFFAOYSA-N
MW478.89 g/mol
LogP2.80
Rot. Bonds7

About 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 166101670) has the molecular formula C21H21ClF2N6O3 and a molecular weight of 478.89 g/mol. Its IUPAC name is 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID166101670
Molecular FormulaC21H21ClF2N6O3
Molecular Weight478.89 g/mol
Exact Mass478.13
IUPAC Name2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESNc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCC(=O)N2CCOCC2)n1
InChIInChI=1S/C21H21ClF2N6O3/c22-17-10-15(26-21(25)27-17)19-14(11-30(28-19)20(23)24)9-13-3-1-2-4-16(13)33-12-18(31)29-5-7-32-8-6-29/h1-4,10-11,20H,5-9,12H2,(H2,25,26,27)
InChIKeyYIIRCSQUJPUWPZ-UHFFFAOYSA-N
XLogP2.80
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-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

2-Amino-4-{2,4-Dichloro-6-[2-(1h-Pyrazol-1-Yl)ethoxy]phenyl}-N-(2,2-Difluoropropyl)-5,7-Dihydro-6h-Pyrrolo[3,4-D]pyrimidine-6-Carboxamide
CID 25003030
CID 166101565
CID 166101565
methyl (3R)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine-3-carboxylate
CID 166101429
2-amino-4-[4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 46174269
2-amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo(3,4-d)pyrimidine-6-carboxamide
CID 46174270
2-Amino-4-{2,4-dichloro-6-[2-(4-fluoropyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2,2-Trifluoroethyl)amide
CID 46175090
2-Amino-4-{2,4-dichloro-6-[2-(4-fluoropyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2-Difluoropropyl)amide
CID 46175091
2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236120
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236346
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236347
4-(2-(2-(1H-pyrazol-1-yl)ethoxy)-4,6-dichlorophenyl)-2-amino-N-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide
CID 53236348
2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(3,3-Difluorocyclobutyl)amide
CID 53236349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 166101670) is 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone is Nc1nc(Cl)cc(-c2nn(C(F)F)cc2Cc2ccccc2OCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YIIRCSQUJPUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N6O3/c22-17-10-15(26-21(25)27-17)19-14(11-30(28-19)20(23)24)9-13-3-1-2-4-16(13)33-12-18(31)29-5-7-32-8-6-29/h1-4,10-11,20H,5-9,12H2,(H2,25,26,27).
What are the key properties of 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 478.89 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 166101670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).