5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide

C18H20FN7O — CID 11855917

IUPAC5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1
InChIInChI=1S/C18H20FN7O/c1-10(2)26-11(3)21-9-15(26)16-13(19)8-23-18(25-16)24-12-5-6-14(22-7-12)17(27)20-4/h5-10H,1-4H3,(H,20,27)(H,23,24,25)
InChIKeyDWKAXBSRBLXWJI-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.87
Rot. Bonds5

About 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide

5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 11855917) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID11855917
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1
InChIInChI=1S/C18H20FN7O/c1-10(2)26-11(3)21-9-15(26)16-13(19)8-23-18(25-16)24-12-5-6-14(22-7-12)17(27)20-4/h5-10H,1-4H3,(H,20,27)(H,23,24,25)
InChIKeyDWKAXBSRBLXWJI-UHFFFAOYSA-N
XLogP2.87
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide (CID 11855917) is 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cn1.
What is the InChIKey of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is DWKAXBSRBLXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-10(2)26-11(3)21-9-15(26)16-13(19)8-23-18(25-16)24-12-5-6-14(22-7-12)17(27)20-4/h5-10H,1-4H3,(H,20,27)(H,23,24,25).
What are the key properties of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11855917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).