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

C20H20FN9O — CID 170730858

IUPACN-[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
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(C)F)n2)c(-c2ccn3ncnc3n2)cn1
InChIInChI=1S/C20H20FN9O/c1-11-7-17(29-18(25-11)20(3,4)21)27-15-8-16(26-12(2)31)22-9-13(15)14-5-6-30-19(28-14)23-10-24-30/h5-10H,1-4H3,(H2,22,25,26,27,29,31)
InChIKeyOVSQXPXYLNHRLP-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.19
Rot. Bonds5

About 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

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 (PubChem CID 170730858) has the molecular formula C20H20FN9O and a molecular weight of 421.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170730858
Molecular FormulaC20H20FN9O
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN-[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
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(C)F)n2)c(-c2ccn3ncnc3n2)cn1
InChIInChI=1S/C20H20FN9O/c1-11-7-17(29-18(25-11)20(3,4)21)27-15-8-16(26-12(2)31)22-9-13(15)14-5-6-30-19(28-14)23-10-24-30/h5-10H,1-4H3,(H2,22,25,26,27,29,31)
InChIKeyOVSQXPXYLNHRLP-UHFFFAOYSA-N
XLogP3.19
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(C)F)n2)c(-c2ccn3ncnc3n2)cn1.
What is the InChIKey of 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?
The InChIKey is OVSQXPXYLNHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9O/c1-11-7-17(29-18(25-11)20(3,4)21)27-15-8-16(26-12(2)31)22-9-13(15)14-5-6-30-19(28-14)23-10-24-30/h5-10H,1-4H3,(H2,22,25,26,27,29,31).
What are the key properties of 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?
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 has a molecular weight of 421.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170730858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).