N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine

C61H69F12N19O2S — CID 159426856

IUPACN-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESCN1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.CN1C[C@H](N)C[C@@H](C(F)(F)F)C1.CS(=O)(=O)N1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.FC(F)(F)[C@@H]1CCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C18H19F3N6O2S.C18H19F3N6.C18H18F3N5.C7H13F3N2/c1-30(28,29)27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;1-27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;19-18(20,21)11-3-1-4-12(9-11)25-16-13(5-2-7-22-16)15-10-24-17-14(26-15)6-8-23-17;1-12-3-5(7(8,9)10)2-6(11)4-12/h2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2,5-8,10-12H,1,3-4,9H2,(H,22,25)(H,23,24);5-6H,2-4,11H2,1H3/t3*11-,12-;5-,6-/m0011/s1
InChIKeyLQLXJGIAOUSJSE-XMRMUGDUSA-N
MW1360.40 g/mol
LogP11.34
Rot. Bonds10

About N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine

N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine (PubChem CID 159426856) has the molecular formula C61H69F12N19O2S and a molecular weight of 1360.40 g/mol. Its IUPAC name is N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
PubChem CID159426856
Molecular FormulaC61H69F12N19O2S
Molecular Weight1360.40 g/mol
Exact Mass1359.54
IUPAC NameN-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESCN1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.CN1C[C@H](N)C[C@@H](C(F)(F)F)C1.CS(=O)(=O)N1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.FC(F)(F)[C@@H]1CCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C18H19F3N6O2S.C18H19F3N6.C18H18F3N5.C7H13F3N2/c1-30(28,29)27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;1-27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;19-18(20,21)11-3-1-4-12(9-11)25-16-13(5-2-7-22-16)15-10-24-17-14(26-15)6-8-23-17;1-12-3-5(7(8,9)10)2-6(11)4-12/h2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2,5-8,10-12H,1,3-4,9H2,(H,22,25)(H,23,24);5-6H,2-4,11H2,1H3/t3*11-,12-;5-,6-/m0011/s1
InChIKeyLQLXJGIAOUSJSE-XMRMUGDUSA-N
XLogP11.34
TPSA269.35 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.40
LogP ≤ 511.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine with MolForge

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Related Compounds

N-({1-[(1r,2r,4s)-Bicyclo[2.2.1]hept-2-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-2-Yl}methyl)methanesulfonamide
CID 66557868
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
2-[(3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 58177456
N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
CID 58395401
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69809726
N-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811602
N-[(3S,5S)-5-methyl-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811936
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide
CID 71457773
6-[2-[[3-(Dimethylsulfamoylamino)-2,6-Bis(Fluoranyl)phenyl]amino]pyridin-3-Yl]-7~{h}-Purine
CID 118988423
N-[(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 53341104
N-[2-[3-[1-(2-cyanoethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
CID 53341463

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The IUPAC name of N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine (CID 159426856) is N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The canonical SMILES for N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine is CN1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.CN1C[C@H](N)C[C@@H](C(F)(F)F)C1.CS(=O)(=O)N1C[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C[C@H](C(F)(F)F)C1.FC(F)(F)[C@@H]1CCC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The InChIKey is LQLXJGIAOUSJSE-XMRMUGDUSA-N. The full InChI is InChI=1S/C18H19F3N6O2S.C18H19F3N6.C18H18F3N5.C7H13F3N2/c1-30(28,29)27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;1-27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17;19-18(20,21)11-3-1-4-12(9-11)25-16-13(5-2-7-22-16)15-10-24-17-14(26-15)6-8-23-17;1-12-3-5(7(8,9)10)2-6(11)4-12/h2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24);2,5-8,10-12H,1,3-4,9H2,(H,22,25)(H,23,24);5-6H,2-4,11H2,1H3/t3*11-,12-;5-,6-/m0011/s1.
What are the key properties of N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine has a molecular weight of 1360.40 g/mol, XLogP of 11.34, 10 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;(3R,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine;N-[(3S,5S)-1-methyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine;3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 159426856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).