5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide

C25H32FN7O2 — CID 23728549

IUPAC5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1
InChIInChI=1S/C25H32FN7O2/c1-4-10-32(11-5-2)24(34)21-7-6-18(14-28-21)30-25-29-15-20(26)23(31-25)22-16-27-17(3)33(22)19-8-12-35-13-9-19/h6-7,14-16,19H,4-5,8-13H2,1-3H3,(H,29,30,31)
InChIKeyLRMNPLYTCUDBFE-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.54
Rot. Bonds9

About 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide

5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 23728549) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID23728549
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC Name5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1
InChIInChI=1S/C25H32FN7O2/c1-4-10-32(11-5-2)24(34)21-7-6-18(14-28-21)30-25-29-15-20(26)23(31-25)22-16-27-17(3)33(22)19-8-12-35-13-9-19/h6-7,14-16,19H,4-5,8-13H2,1-3H3,(H,29,30,31)
InChIKeyLRMNPLYTCUDBFE-UHFFFAOYSA-N
XLogP4.54
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide (CID 23728549) is 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1.
What is the InChIKey of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is LRMNPLYTCUDBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-4-10-32(11-5-2)24(34)21-7-6-18(14-28-21)30-25-29-15-20(26)23(31-25)22-16-27-17(3)33(22)19-8-12-35-13-9-19/h6-7,14-16,19H,4-5,8-13H2,1-3H3,(H,29,30,31).
What are the key properties of 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide?
5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 23728549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).