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

C22H26FN7O2 — CID 23728551

IUPACN-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1
InChIInChI=1S/C22H26FN7O2/c1-4-29(3)21(31)18-6-5-15(11-25-18)27-22-26-12-17(23)20(28-22)19-13-24-14(2)30(19)16-7-9-32-10-8-16/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,26,27,28)
InChIKeyCBRNGWKGKNYMQX-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.37
Rot. Bonds6

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

N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 23728551) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID23728551
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC NameN-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1
InChIInChI=1S/C22H26FN7O2/c1-4-29(3)21(31)18-6-5-15(11-25-18)27-22-26-12-17(23)20(28-22)19-13-24-14(2)30(19)16-7-9-32-10-8-16/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,26,27,28)
InChIKeyCBRNGWKGKNYMQX-UHFFFAOYSA-N
XLogP3.37
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide (CID 23728551) is N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide is CCN(C)C(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)cn1.
What is the InChIKey of N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is CBRNGWKGKNYMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-4-29(3)21(31)18-6-5-15(11-25-18)27-22-26-12-17(23)20(28-22)19-13-24-14(2)30(19)16-7-9-32-10-8-16/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,26,27,28).
What are the key properties of N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide?
N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 23728551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).