3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C123H133F11N44O8 — CID 157397237

IUPAC3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(C#N)c3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncnc4ccc(F)cc34)cnc2N)CC1.COCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C27H30F3N9O2.C26H30F3N9O2.C24H27F3N8O2.C24H24FN9O.C22H22FN9O/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-25(31)6-9-37(10-7-25)18-3-2-8-32-23(18)36-24(39)21-22(30)33-15-17(34-21)20-16(26(27,28)29)4-5-19(35-20)38-11-13-40-14-12-38;1-37-13-8-23(29)6-11-35(12-7-23)17-5-3-10-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)4-2-9-30-18;1-24(27)6-9-34(10-7-24)18-3-2-8-28-22(18)33-23(35)20-21(26)29-12-17(32-20)19-15-11-14(25)4-5-16(15)30-13-31-19;1-22(26)5-9-32(10-6-22)15-3-2-7-28-20(15)31-21(33)18-19(25)29-12-14(30-18)17-16(23)13(11-24)4-8-27-17/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-5,8,15H,6-7,9-14,31H2,1H3,(H2,30,33)(H,32,36,39);2-5,9-10,14H,6-8,11-13,29H2,1H3,(H2,28,32)(H,31,34,36);2-5,8,11-13H,6-7,9-10,27H2,1H3,(H2,26,29)(H,28,33,35);2-4,7-8,12H,5-6,9-10,26H2,1H3,(H2,25,29)(H,28,31,33)/t15-,16+,21?;;;;
InChIKeyBMSDRPHXGSOKBU-KICBMUKKSA-N
MW2564.69 g/mol
LogP13.73
Rot. Bonds25

About 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 157397237) has the molecular formula C123H133F11N44O8 and a molecular weight of 2564.69 g/mol. Its IUPAC name is 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID157397237
Molecular FormulaC123H133F11N44O8
Molecular Weight2564.69 g/mol
Exact Mass2563.12
IUPAC Name3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(C#N)c3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncnc4ccc(F)cc34)cnc2N)CC1.COCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C27H30F3N9O2.C26H30F3N9O2.C24H27F3N8O2.C24H24FN9O.C22H22FN9O/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-25(31)6-9-37(10-7-25)18-3-2-8-32-23(18)36-24(39)21-22(30)33-15-17(34-21)20-16(26(27,28)29)4-5-19(35-20)38-11-13-40-14-12-38;1-37-13-8-23(29)6-11-35(12-7-23)17-5-3-10-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)4-2-9-30-18;1-24(27)6-9-34(10-7-24)18-3-2-8-28-22(18)33-23(35)20-21(26)29-12-17(32-20)19-15-11-14(25)4-5-16(15)30-13-31-19;1-22(26)5-9-32(10-6-22)15-3-2-7-28-20(15)31-21(33)18-19(25)29-12-14(30-18)17-16(23)13(11-24)4-8-27-17/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-5,8,15H,6-7,9-14,31H2,1H3,(H2,30,33)(H,32,36,39);2-5,9-10,14H,6-8,11-13,29H2,1H3,(H2,28,32)(H,31,34,36);2-5,8,11-13H,6-7,9-10,27H2,1H3,(H2,26,29)(H,28,33,35);2-4,7-8,12H,5-6,9-10,26H2,1H3,(H2,25,29)(H,28,31,33)/t15-,16+,21?;;;;
InChIKeyBMSDRPHXGSOKBU-KICBMUKKSA-N
XLogP13.73
TPSA750.55 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.69
LogP ≤ 513.73
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Analyze 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873315
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873349
3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118875832
[4-[5,7-Difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 59631422
3-amino-N-[3-[(5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118899226
3-amino-6-[5-[[3-[[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]pyridin-2-yl]carbamoyl]-5-[3-(trifluoromethyl)pyridin-2-yl]pyrazin-2-yl]amino]-4-cyano-3-fluoropyridin-2-yl]-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]pyrazine-2-carboxamide
CID 132234340
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(7-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide
CID 132234343
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-[2-ethoxyethyl(methyl)amino]-7-fluoroquinazolin-4-yl]pyrazine-2-carboxamide
CID 139333445
3-amino-N-[3-(8-amino-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 139503689
3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 157416224
3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 157661424
3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
CID 158025730

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 157397237) is 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ccc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(C#N)c3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncnc4ccc(F)cc34)cnc2N)CC1.COCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.
What is the InChIKey of 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is BMSDRPHXGSOKBU-KICBMUKKSA-N. The full InChI is InChI=1S/C27H30F3N9O2.C26H30F3N9O2.C24H27F3N8O2.C24H24FN9O.C22H22FN9O/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-25(31)6-9-37(10-7-25)18-3-2-8-32-23(18)36-24(39)21-22(30)33-15-17(34-21)20-16(26(27,28)29)4-5-19(35-20)38-11-13-40-14-12-38;1-37-13-8-23(29)6-11-35(12-7-23)17-5-3-10-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)4-2-9-30-18;1-24(27)6-9-34(10-7-24)18-3-2-8-28-22(18)33-23(35)20-21(26)29-12-17(32-20)19-15-11-14(25)4-5-16(15)30-13-31-19;1-22(26)5-9-32(10-6-22)15-3-2-7-28-20(15)31-21(33)18-19(25)29-12-14(30-18)17-16(23)13(11-24)4-8-27-17/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-5,8,15H,6-7,9-14,31H2,1H3,(H2,30,33)(H,32,36,39);2-5,9-10,14H,6-8,11-13,29H2,1H3,(H2,28,32)(H,31,34,36);2-5,8,11-13H,6-7,9-10,27H2,1H3,(H2,26,29)(H,28,33,35);2-4,7-8,12H,5-6,9-10,26H2,1H3,(H2,25,29)(H,28,31,33)/t15-,16+,21?;;;;.
What are the key properties of 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 2564.69 g/mol, XLogP of 13.73, 25 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-cyano-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(6-fluoroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 157397237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).