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

C17H18FN7O — CID 11855920

IUPAC5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCc1ncc(-c2nc(Nc3ccc(C(N)=O)nc3)ncc2F)n1C(C)C
InChIInChI=1S/C17H18FN7O/c1-9(2)25-10(3)20-8-14(25)15-12(18)7-22-17(24-15)23-11-4-5-13(16(19)26)21-6-11/h4-9H,1-3H3,(H2,19,26)(H,22,23,24)
InChIKeyYLCGYVVDGLICDU-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.61
Rot. Bonds5

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

5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 11855920) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID11855920
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESCc1ncc(-c2nc(Nc3ccc(C(N)=O)nc3)ncc2F)n1C(C)C
InChIInChI=1S/C17H18FN7O/c1-9(2)25-10(3)20-8-14(25)15-12(18)7-22-17(24-15)23-11-4-5-13(16(19)26)21-6-11/h4-9H,1-3H3,(H2,19,26)(H,22,23,24)
InChIKeyYLCGYVVDGLICDU-UHFFFAOYSA-N
XLogP2.61
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.61
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]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 11855920) is 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide is Cc1ncc(-c2nc(Nc3ccc(C(N)=O)nc3)ncc2F)n1C(C)C.
What is the InChIKey of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is YLCGYVVDGLICDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-9(2)25-10(3)20-8-14(25)15-12(18)7-22-17(24-15)23-11-4-5-13(16(19)26)21-6-11/h4-9H,1-3H3,(H2,19,26)(H,22,23,24).
What are the key properties of 5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide?
5-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 2.61, 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]pyridine-2-carboxamide is sourced from PubChem (CID 11855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).