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

C23H25F2N7O3 — CID 170730673

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(C3COCCO3)cn2)nc(C(C)(F)F)n1
InChIInChI=1S/C23H25F2N7O3/c1-4-14-7-21(32-22(30-14)23(3,24)25)31-16-8-20(29-13(2)33)28-9-15(16)17-10-27-18(11-26-17)19-12-34-5-6-35-19/h7-11,19H,4-6,12H2,1-3H3,(H2,28,29,30,31,32,33)
InChIKeyPNZXVKJTPPTKNS-UHFFFAOYSA-N
MW485.50 g/mol
LogP3.79
Rot. Bonds7

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

N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide (PubChem CID 170730673) has the molecular formula C23H25F2N7O3 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide
PubChem CID170730673
Molecular FormulaC23H25F2N7O3
Molecular Weight485.50 g/mol
Exact Mass485.20
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(C3COCCO3)cn2)nc(C(C)(F)F)n1
InChIInChI=1S/C23H25F2N7O3/c1-4-14-7-21(32-22(30-14)23(3,24)25)31-16-8-20(29-13(2)33)28-9-15(16)17-10-27-18(11-26-17)19-12-34-5-6-35-19/h7-11,19H,4-6,12H2,1-3H3,(H2,28,29,30,31,32,33)
InChIKeyPNZXVKJTPPTKNS-UHFFFAOYSA-N
XLogP3.79
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-(5-morpholin-4-ylpyrazin-2-yl)-2-pyridinyl]acetamide
CID 175990946
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-(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-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(oxolan-2-yl)-2-pyridinyl]acetamide
CID 175990768
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)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
CID 170730438
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)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 175990779
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(oxetan-3-yloxy)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990787

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of 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) is N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide is CCc1cc(Nc2cc(NC(C)=O)ncc2-c2cnc(C3COCCO3)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-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is PNZXVKJTPPTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O3/c1-4-14-7-21(32-22(30-14)23(3,24)25)31-16-8-20(29-13(2)33)28-9-15(16)17-10-27-18(11-26-17)19-12-34-5-6-35-19/h7-11,19H,4-6,12H2,1-3H3,(H2,28,29,30,31,32,33).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[5-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 485.50 g/mol, XLogP of 3.79, 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-(1,4-dioxan-2-yl)pyrazin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).