2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C28H32F3N9O3S — CID 167202362

IUPAC2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(C2CCN(c3nc4n(n3)CCN(S(=O)(=O)C(F)(F)F)C4)CC2)cc1
InChIInChI=1S/C28H32F3N9O3S/c1-3-22-24(39-16-18(2)14-33-26(39)34-22)25(41)32-15-19-4-6-20(7-5-19)21-8-10-37(11-9-21)27-35-23-17-38(12-13-40(23)36-27)44(42,43)28(29,30)31/h4-7,14,16,21H,3,8-13,15,17H2,1-2H3,(H,32,41)
InChIKeyFIGVAONFLPDIBD-UHFFFAOYSA-N
MW631.69 g/mol
LogP3.17
Rot. Bonds7

About 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 167202362) has the molecular formula C28H32F3N9O3S and a molecular weight of 631.69 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID167202362
Molecular FormulaC28H32F3N9O3S
Molecular Weight631.69 g/mol
Exact Mass631.23
IUPAC Name2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(C2CCN(c3nc4n(n3)CCN(S(=O)(=O)C(F)(F)F)C4)CC2)cc1
InChIInChI=1S/C28H32F3N9O3S/c1-3-22-24(39-16-18(2)14-33-26(39)34-22)25(41)32-15-19-4-6-20(7-5-19)21-8-10-37(11-9-21)27-35-23-17-38(12-13-40(23)36-27)44(42,43)28(29,30)31/h4-7,14,16,21H,3,8-13,15,17H2,1-2H3,(H,32,41)
InChIKeyFIGVAONFLPDIBD-UHFFFAOYSA-N
XLogP3.17
TPSA130.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 167202362) is 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(C2CCN(c3nc4n(n3)CCN(S(=O)(=O)C(F)(F)F)C4)CC2)cc1.
What is the InChIKey of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FIGVAONFLPDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N9O3S/c1-3-22-24(39-16-18(2)14-33-26(39)34-22)25(41)32-15-19-4-6-20(7-5-19)21-8-10-37(11-9-21)27-35-23-17-38(12-13-40(23)36-27)44(42,43)28(29,30)31/h4-7,14,16,21H,3,8-13,15,17H2,1-2H3,(H,32,41).
What are the key properties of 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 631.69 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[[4-[1-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167202362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).