N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide

C18H17F4N7O — CID 175990779

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2ccn(C(F)F)n2)cn1
InChIInChI=1S/C18H17F4N7O/c1-9-6-15(27-16(24-9)18(3,21)22)26-13-7-14(25-10(2)30)23-8-11(13)12-4-5-29(28-12)17(19)20/h4-8,17H,1-3H3,(H2,23,24,25,26,27,30)
InChIKeyMUSQTZKYYZETJC-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.25
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide (PubChem CID 175990779) has the molecular formula C18H17F4N7O and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
PubChem CID175990779
Molecular FormulaC18H17F4N7O
Molecular Weight423.37 g/mol
Exact Mass423.14
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2ccn(C(F)F)n2)cn1
InChIInChI=1S/C18H17F4N7O/c1-9-6-15(27-16(24-9)18(3,21)22)26-13-7-14(25-10(2)30)23-8-11(13)12-4-5-29(28-12)17(19)20/h4-8,17H,1-3H3,(H2,23,24,25,26,27,30)
InChIKeyMUSQTZKYYZETJC-UHFFFAOYSA-N
XLogP4.25
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 170730784
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-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]amino]-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-2-pyridinyl]acetamide
CID 170730858
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990722
N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730760
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)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
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-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
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-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide (CID 175990779) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2ccn(C(F)F)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The InChIKey is MUSQTZKYYZETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N7O/c1-9-6-15(27-16(24-9)18(3,21)22)26-13-7-14(25-10(2)30)23-8-11(13)12-4-5-29(28-12)17(19)20/h4-8,17H,1-3H3,(H2,23,24,25,26,27,30).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide has a molecular weight of 423.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).