N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H25F4N7O3S — CID 165126555

IUPACN-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(C)cn2c1C(=O)NCc1cnc(N2CCN(S(=O)(=O)C(F)(F)F)C(C3CC3)=N2)c(F)c1
InChIInChI=1S/C24H25F4N7O3S/c1-3-18-20(33-13-14(2)4-7-19(33)31-18)23(36)30-12-15-10-17(25)22(29-11-15)34-8-9-35(21(32-34)16-5-6-16)39(37,38)24(26,27)28/h4,7,10-11,13,16H,3,5-6,8-9,12H2,1-2H3,(H,30,36)
InChIKeyUHYUXQBABWTDNZ-UHFFFAOYSA-N
MW567.57 g/mol
LogP3.36
Rot. Bonds7

About N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126555) has the molecular formula C24H25F4N7O3S and a molecular weight of 567.57 g/mol. Its IUPAC name is N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126555
Molecular FormulaC24H25F4N7O3S
Molecular Weight567.57 g/mol
Exact Mass567.17
IUPAC NameN-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(C)cn2c1C(=O)NCc1cnc(N2CCN(S(=O)(=O)C(F)(F)F)C(C3CC3)=N2)c(F)c1
InChIInChI=1S/C24H25F4N7O3S/c1-3-18-20(33-13-14(2)4-7-19(33)31-18)23(36)30-12-15-10-17(25)22(29-11-15)34-8-9-35(21(32-34)16-5-6-16)39(37,38)24(26,27)28/h4,7,10-11,13,16H,3,5-6,8-9,12H2,1-2H3,(H,30,36)
InChIKeyUHYUXQBABWTDNZ-UHFFFAOYSA-N
XLogP3.36
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-6-methyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167673899
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743
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
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
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-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 166657384
2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165413928
2-ethyl-6-methyl-N-[(1-methylindol-6-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469011
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165413669
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414199

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 165126555) is N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(C)cn2c1C(=O)NCc1cnc(N2CCN(S(=O)(=O)C(F)(F)F)C(C3CC3)=N2)c(F)c1.
What is the InChIKey of N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UHYUXQBABWTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N7O3S/c1-3-18-20(33-13-14(2)4-7-19(33)31-18)23(36)30-12-15-10-17(25)22(29-11-15)34-8-9-35(21(32-34)16-5-6-16)39(37,38)24(26,27)28/h4,7,10-11,13,16H,3,5-6,8-9,12H2,1-2H3,(H,30,36).
What are the key properties of N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.57 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-5-fluoro-3-pyridinyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).