3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C27H27F3N10O — CID 139365236

IUPAC3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCc1cn(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c(C)n1
InChIInChI=1S/C27H27F3N10O/c1-17-14-37(18(2)35-17)8-6-25(41)39-10-9-38(16-22(39)19-11-33-34-12-19)24-5-7-31-26(36-24)21-13-32-23-4-3-20(15-40(21)23)27(28,29)30/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34)
InChIKeyLPZMGULIONAYDR-UHFFFAOYSA-N
MW564.58 g/mol
LogP3.83
Rot. Bonds6

About 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 139365236) has the molecular formula C27H27F3N10O and a molecular weight of 564.58 g/mol. Its IUPAC name is 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID139365236
Molecular FormulaC27H27F3N10O
Molecular Weight564.58 g/mol
Exact Mass564.23
IUPAC Name3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCc1cn(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c(C)n1
InChIInChI=1S/C27H27F3N10O/c1-17-14-37(18(2)35-17)8-6-25(41)39-10-9-38(16-22(39)19-11-33-34-12-19)24-5-7-31-26(36-24)21-13-32-23-4-3-20(15-40(21)23)27(28,29)30/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34)
InChIKeyLPZMGULIONAYDR-UHFFFAOYSA-N
XLogP3.83
TPSA113.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 139365236) is 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is Cc1cn(CCC(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c(C)n1.
What is the InChIKey of 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is LPZMGULIONAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N10O/c1-17-14-37(18(2)35-17)8-6-25(41)39-10-9-38(16-22(39)19-11-33-34-12-19)24-5-7-31-26(36-24)21-13-32-23-4-3-20(15-40(21)23)27(28,29)30/h3-5,7,11-15,22H,6,8-10,16H2,1-2H3,(H,33,34).
What are the key properties of 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 564.58 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylimidazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139365236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).