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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide

C166H180F18N58O11 — CID 158522565

IUPAC3-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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
SMILESCC1(C)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)cc4ccccc34)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C30H34N8O2.C24H27F3N10O2.C24H27F3N8O.C23H25F3N8O2.C23H25F3N8O.C21H21F3N8O2.C21H21F3N8O/c1-30(2)9-12-37(13-10-30)23-8-5-11-32-28(23)36-29(39)26-27(31)33-19-22(34-26)25-21-7-4-3-6-20(21)18-24(35-25)38-14-16-40-17-15-38;25-24(26,27)15-12-32-23(37-8-10-39-11-9-37)34-18(15)16-13-31-20(29)19(33-16)22(38)35-21-17(2-1-5-30-21)36-6-3-14(28)4-7-36;1-2-7-23(29)8-12-35(13-9-23)17-6-4-11-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)5-3-10-30-18;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-22(28)7-11-34(12-8-22)16-6-4-10-30-20(16)33-21(35)18-19(27)31-13-15(32-18)17-14(23(24,25)26)5-3-9-29-17;22-21(23,24)34-15-4-2-7-27-16(15)13-11-29-18(26)17(30-13)20(33)31-19-14(3-1-8-28-19)32-9-5-12(25)6-10-32;22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h3-8,11,18-19H,9-10,12-17H2,1-2H3,(H2,31,33)(H,32,36,39);1-2,5,12-14H,3-4,6-11,28H2,(H2,29,31)(H,30,35,38);3-6,10-11,14H,2,7-9,12-13,29H2,1H3,(H2,28,32)(H,31,34,36);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)
InChIKeyHMJWOPHKWZAEGZ-UHFFFAOYSA-N
MW3505.62 g/mol
LogP22.39
Rot. Bonds36

About 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide (PubChem CID 158522565) has the molecular formula C166H180F18N58O11 and a molecular weight of 3505.62 g/mol. Its IUPAC name is 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
PubChem CID158522565
Molecular FormulaC166H180F18N58O11
Molecular Weight3505.62 g/mol
Exact Mass3503.50
IUPAC Name3-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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
SMILESCC1(C)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)cc4ccccc34)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C30H34N8O2.C24H27F3N10O2.C24H27F3N8O.C23H25F3N8O2.C23H25F3N8O.C21H21F3N8O2.C21H21F3N8O/c1-30(2)9-12-37(13-10-30)23-8-5-11-32-28(23)36-29(39)26-27(31)33-19-22(34-26)25-21-7-4-3-6-20(21)18-24(35-25)38-14-16-40-17-15-38;25-24(26,27)15-12-32-23(37-8-10-39-11-9-37)34-18(15)16-13-31-20(29)19(33-16)22(38)35-21-17(2-1-5-30-21)36-6-3-14(28)4-7-36;1-2-7-23(29)8-12-35(13-9-23)17-6-4-11-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)5-3-10-30-18;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-22(28)7-11-34(12-8-22)16-6-4-10-30-20(16)33-21(35)18-19(27)31-13-15(32-18)17-14(23(24,25)26)5-3-9-29-17;22-21(23,24)34-15-4-2-7-27-16(15)13-11-29-18(26)17(30-13)20(33)31-19-14(3-1-8-28-19)32-9-5-12(25)6-10-32;22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h3-8,11,18-19H,9-10,12-17H2,1-2H3,(H2,31,33)(H,32,36,39);1-2,5,12-14H,3-4,6-11,28H2,(H2,29,31)(H,30,35,38);3-6,10-11,14H,2,7-9,12-13,29H2,1H3,(H2,28,32)(H,31,34,36);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33)
InChIKeyHMJWOPHKWZAEGZ-UHFFFAOYSA-N
XLogP22.39
TPSA981.85 Ų
H-Bond Donors20
H-Bond Acceptors62
Rotatable Bonds36
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003505.62
LogP ≤ 522.39
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1062

Analyze 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873196
3-Amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]-2-pyrazinecarboxamide
CID 118873249
3-amino-N-[3-[4-amino-4-(ethoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873270
3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873208
3-amino-N-[3-[(3S,4R)-4-amino-3-fluoro-4-methylpiperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873294
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[5-methoxy-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873335
3-amino-N-[3-(4-amino-3-fluoro-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873347
3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118875821
4-(6,7-Difluoro-3-quinolylamino)-2-{5-methoxy-6-[3-(trifluoromethyl)-1-piperazinyl]-3-pyridylamino}pyrimidine
CID 176210431
3-{5-Fluoro-2-[6-(4-hydroxy-4-methyl-1-piperidyl)-5-methoxy-3-pyridylamino]-4-pyrimidinylamino}-2-quinolinecarboxamide
CID 176369132
2-{6-[3-(Difluoromethyl)-1-piperazinyl]-5-methoxy-3-pyridylamino}-4-(6,7-difluoro-3-quinolylamino)pyrimidine
CID 176369250

Frequently Asked Questions

What is the IUPAC name of 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide (CID 158522565) is 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide is CC1(C)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)cc4ccccc34)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1.Nc1ncc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide?
The InChIKey is HMJWOPHKWZAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2.C24H27F3N10O2.C24H27F3N8O.C23H25F3N8O2.C23H25F3N8O.C21H21F3N8O2.C21H21F3N8O/c1-30(2)9-12-37(13-10-30)23-8-5-11-32-28(23)36-29(39)26-27(31)33-19-22(34-26)25-21-7-4-3-6-20(21)18-24(35-25)38-14-16-40-17-15-38;25-24(26,27)15-12-32-23(37-8-10-39-11-9-37)34-18(15)16-13-31-20(29)19(33-16)22(38)35-21-17(2-1-5-30-21)36-6-3-14(28)4-7-36;1-2-7-23(29)8-12-35(13-9-23)17-6-4-11-31-21(17)34-22(36)19-20(28)32-14-16(33-19)18-15(24(25,26)27)5-3-10-30-18;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-22(28)7-11-34(12-8-22)16-6-4-10-30-20(16)33-21(35)18-19(27)31-13-15(32-18)17-14(23(24,25)26)5-3-9-29-17;22-21(23,24)34-15-4-2-7-27-16(15)13-11-29-18(26)17(30-13)20(33)31-19-14(3-1-8-28-19)32-9-5-12(25)6-10-32;22-21(23,24)13-3-1-7-27-16(13)14-11-29-18(26)17(30-14)20(33)31-19-15(4-2-8-28-19)32-9-5-12(25)6-10-32/h3-8,11,18-19H,9-10,12-17H2,1-2H3,(H2,31,33)(H,32,36,39);1-2,5,12-14H,3-4,6-11,28H2,(H2,29,31)(H,30,35,38);3-6,10-11,14H,2,7-9,12-13,29H2,1H3,(H2,28,32)(H,31,34,36);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33);1-4,7-8,11-12H,5-6,9-10,25H2,(H2,26,29)(H,28,31,33).
What are the key properties of 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide has a molecular weight of 3505.62 g/mol, XLogP of 22.39, 36 rotatable bonds, 20 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 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-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 158522565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).