[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

C24H22F3N7O — CID 139344532

IUPAC[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)c1ccncc1
InChIInChI=1S/C24H22F3N7O/c1-15-12-32(13-16(2)34(15)23(35)17-5-8-28-9-6-17)21-7-10-29-22(31-21)19-11-30-20-4-3-18(14-33(19)20)24(25,26)27/h3-11,14-16H,12-13H2,1-2H3/t15-,16+
InChIKeyPQWDERLIXFTZCE-IYBDPMFKSA-N
MW481.48 g/mol
LogP3.94
Rot. Bonds3

About [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 139344532) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID139344532
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)c1ccncc1
InChIInChI=1S/C24H22F3N7O/c1-15-12-32(13-16(2)34(15)23(35)17-5-8-28-9-6-17)21-7-10-29-22(31-21)19-11-30-20-4-3-18(14-33(19)20)24(25,26)27/h3-11,14-16H,12-13H2,1-2H3/t15-,16+
InChIKeyPQWDERLIXFTZCE-IYBDPMFKSA-N
XLogP3.94
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 139344532) is [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)c1ccncc1.
What is the InChIKey of [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PQWDERLIXFTZCE-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H22F3N7O/c1-15-12-32(13-16(2)34(15)23(35)17-5-8-28-9-6-17)21-7-10-29-22(31-21)19-11-30-20-4-3-18(14-33(19)20)24(25,26)27/h3-11,14-16H,12-13H2,1-2H3/t15-,16+.
What are the key properties of [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 481.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 139344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).