N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide

C23H26F2N8O2 — CID 175990946

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(N3CCOCC3)cn2)nc(C(C)(F)F)n1
InChIInChI=1S/C23H26F2N8O2/c1-4-15-9-20(32-22(30-15)23(3,24)25)31-17-10-19(29-14(2)34)27-11-16(17)18-12-28-21(13-26-18)33-5-7-35-8-6-33/h9-13H,4-8H2,1-3H3,(H2,27,29,30,31,32,34)
InChIKeyXZTZRQXZRORMDZ-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.54
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide (PubChem CID 175990946) has the molecular formula C23H26F2N8O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide
PubChem CID175990946
Molecular FormulaC23H26F2N8O2
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(N3CCOCC3)cn2)nc(C(C)(F)F)n1
InChIInChI=1S/C23H26F2N8O2/c1-4-15-9-20(32-22(30-15)23(3,24)25)31-17-10-19(29-14(2)34)27-11-16(17)18-12-28-21(13-26-18)33-5-7-35-8-6-33/h9-13H,4-8H2,1-3H3,(H2,27,29,30,31,32,34)
InChIKeyXZTZRQXZRORMDZ-UHFFFAOYSA-N
XLogP3.54
TPSA118.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]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-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 170730673
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)pyrimidin-4-yl]-2-pyridinyl]acetamide
CID 170730709
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[6-(2-methoxyethoxy)pyridazin-3-yl]-2-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
CID 175990858
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-fluoro-6-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990792
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[2-(2-morpholin-4-ylethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 175990844
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170730382
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 175991041
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(7-hydroxy-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
CID 170730913
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
CID 170730438

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide (CID 175990946) is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide is CCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(N3CCOCC3)cn2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is XZTZRQXZRORMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2/c1-4-15-9-20(32-22(30-15)23(3,24)25)31-17-10-19(29-14(2)34)27-11-16(17)18-12-28-21(13-26-18)33-5-7-35-8-6-33/h9-13H,4-8H2,1-3H3,(H2,27,29,30,31,32,34).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 484.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175990946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).