N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C20H19F4N7O2S — CID 118278640

IUPACN-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(O[C@H]2CCNC[C@@H]2F)nc1
InChIInChI=1S/C20H19F4N7O2S/c1-10-17(19(34-31-10)30-15-9-26-14(8-27-15)20(22,23)24)18(32)29-11-2-3-16(28-6-11)33-13-4-5-25-7-12(13)21/h2-3,6,8-9,12-13,25H,4-5,7H2,1H3,(H,27,30)(H,29,32)/t12-,13-/m0/s1
InChIKeyWFHVMQONFSICPM-STQMWFEESA-N
MW497.48 g/mol
LogP3.73
Rot. Bonds6

About N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 118278640) has the molecular formula C20H19F4N7O2S and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID118278640
Molecular FormulaC20H19F4N7O2S
Molecular Weight497.48 g/mol
Exact Mass497.13
IUPAC NameN-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(O[C@H]2CCNC[C@@H]2F)nc1
InChIInChI=1S/C20H19F4N7O2S/c1-10-17(19(34-31-10)30-15-9-26-14(8-27-15)20(22,23)24)18(32)29-11-2-3-16(28-6-11)33-13-4-5-25-7-12(13)21/h2-3,6,8-9,12-13,25H,4-5,7H2,1H3,(H,27,30)(H,29,32)/t12-,13-/m0/s1
InChIKeyWFHVMQONFSICPM-STQMWFEESA-N
XLogP3.73
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278620
N-[6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 159471821
N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895083
3-methyl-N-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284994
3-methyl-N-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895064
N-[6-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278788
5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 123597922
tert-butyl 4-[[5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 118278989
N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284821
N-[6-[3-[2,2-difluoroethyl(methyl)amino]propoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285114
5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
CID 118278742
3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide
CID 118672192

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 118278640) is N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(O[C@H]2CCNC[C@@H]2F)nc1.
What is the InChIKey of N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is WFHVMQONFSICPM-STQMWFEESA-N. The full InChI is InChI=1S/C20H19F4N7O2S/c1-10-17(19(34-31-10)30-15-9-26-14(8-27-15)20(22,23)24)18(32)29-11-2-3-16(28-6-11)33-13-4-5-25-7-12(13)21/h2-3,6,8-9,12-13,25H,4-5,7H2,1H3,(H,27,30)(H,29,32)/t12-,13-/m0/s1.
What are the key properties of N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).