N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen

C24H28F2N8O2 — CID 161161230

IUPACN-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen
SMILESC[C@H](Nc1cc(-c2cnn3cccnc23)nc(NC(=O)CN2CCOCC2)n1)c1ccc(F)cc1F.[H][H].[H][H]
InChIInChI=1S/C24H24F2N8O2.2H2/c1-15(17-4-3-16(25)11-19(17)26)29-21-12-20(18-13-28-34-6-2-5-27-23(18)34)30-24(31-21)32-22(35)14-33-7-9-36-10-8-33;;/h2-6,11-13,15H,7-10,14H2,1H3,(H2,29,30,31,32,35);2*1H/t15-;;/m0../s1
InChIKeyUPYKGRCCBOFXAQ-CKUXDGONSA-N
MW498.54 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen

N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen (PubChem CID 161161230) has the molecular formula C24H28F2N8O2 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen
PubChem CID161161230
Molecular FormulaC24H28F2N8O2
Molecular Weight498.54 g/mol
Exact Mass498.23
IUPAC NameN-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen
SMILESC[C@H](Nc1cc(-c2cnn3cccnc23)nc(NC(=O)CN2CCOCC2)n1)c1ccc(F)cc1F.[H][H].[H][H]
InChIInChI=1S/C24H24F2N8O2.2H2/c1-15(17-4-3-16(25)11-19(17)26)29-21-12-20(18-13-28-34-6-2-5-27-23(18)34)30-24(31-21)32-22(35)14-33-7-9-36-10-8-33;;/h2-6,11-13,15H,7-10,14H2,1H3,(H2,29,30,31,32,35);2*1H/t15-;;/m0../s1
InChIKeyUPYKGRCCBOFXAQ-CKUXDGONSA-N
XLogP3.40
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen 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-[1-(2,4-difluorophenyl)ethyl]-2-methylsulfanyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
CID 67152323
2-[2-(tert-butylamino)ethoxy]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine;molecular hydrogen
CID 158779463
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(3-methoxy-3-methylbutoxy)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine;molecular hydrogen
CID 158131364
2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
CID 58269046
1-[2-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]oxyethyl]pyrrolidin-2-one
CID 58268966
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-prop-2-enoxyethoxy)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
CID 58268942
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(piperidin-3-ylmethoxy)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine;molecular hydrogen
CID 159284171
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine;molecular hydrogen
CID 160903209
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 99638302
3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen
CID 158033878

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen?
The IUPAC name of N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen (CID 161161230) is N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen.
What is the SMILES notation for N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen?
The canonical SMILES for N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen is C[C@H](Nc1cc(-c2cnn3cccnc23)nc(NC(=O)CN2CCOCC2)n1)c1ccc(F)cc1F.[H][H].[H][H].
What is the InChIKey of N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen?
The InChIKey is UPYKGRCCBOFXAQ-CKUXDGONSA-N. The full InChI is InChI=1S/C24H24F2N8O2.2H2/c1-15(17-4-3-16(25)11-19(17)26)29-21-12-20(18-13-28-34-6-2-5-27-23(18)34)30-24(31-21)32-22(35)14-33-7-9-36-10-8-33;;/h2-6,11-13,15H,7-10,14H2,1H3,(H2,29,30,31,32,35);2*1H/t15-;;/m0../s1.
What are the key properties of N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen?
N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen has a molecular weight of 498.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-2-yl]-2-morpholin-4-ylacetamide;molecular hydrogen is sourced from PubChem (CID 161161230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).