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

C24H22F4N8O3S — CID 171735345

IUPAC2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4nc5n(n4)CCN(S(=O)(=O)C(F)(F)F)C5)c(F)c3)n2c1
InChIInChI=1S/C24H22F4N8O3S/c1-13-9-30-23-32-19(15-3-4-15)20(35(23)11-13)22(37)29-10-14-2-5-16(17(25)8-14)21-31-18-12-34(6-7-36(18)33-21)40(38,39)24(26,27)28/h2,5,8-9,11,15H,3-4,6-7,10,12H2,1H3,(H,29,37)
InChIKeyKOBPJNFWTSBLAZ-UHFFFAOYSA-N
MW578.55 g/mol
LogP2.91
Rot. Bonds6

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

2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 171735345) has the molecular formula C24H22F4N8O3S and a molecular weight of 578.55 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID171735345
Molecular FormulaC24H22F4N8O3S
Molecular Weight578.55 g/mol
Exact Mass578.15
IUPAC Name2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4nc5n(n4)CCN(S(=O)(=O)C(F)(F)F)C5)c(F)c3)n2c1
InChIInChI=1S/C24H22F4N8O3S/c1-13-9-30-23-32-19(15-3-4-15)20(35(23)11-13)22(37)29-10-14-2-5-16(17(25)8-14)21-31-18-12-34(6-7-36(18)33-21)40(38,39)24(26,27)28/h2,5,8-9,11,15H,3-4,6-7,10,12H2,1H3,(H,29,37)
InChIKeyKOBPJNFWTSBLAZ-UHFFFAOYSA-N
XLogP2.91
TPSA127.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126768
2-ethyl-6-methyl-N-[[2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]pyrimidin-5-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126668
7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171395410
2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126820
2-ethyl-6-methyl-N-[[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126629
2-cyclopropyl-N-[[3-fluoro-4-[N'-(1,2,3,6-tetrahydropyrazin-5-yl)carbamimidoyl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;trifluoromethanethiol
CID 165126643
2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126619
2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol
CID 165126729
2-ethyl-6-methyl-N-[[4-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126724
2-ethyl-6-methyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171395411
5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridin-3-amine
CID 167202598
[1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 165126504

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 171735345) is 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4nc5n(n4)CCN(S(=O)(=O)C(F)(F)F)C5)c(F)c3)n2c1.
What is the InChIKey of 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KOBPJNFWTSBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O3S/c1-13-9-30-23-32-19(15-3-4-15)20(35(23)11-13)22(37)29-10-14-2-5-16(17(25)8-14)21-31-18-12-34(6-7-36(18)33-21)40(38,39)24(26,27)28/h2,5,8-9,11,15H,3-4,6-7,10,12H2,1H3,(H,29,37).
What are the key properties of 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 578.55 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171735345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).