3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C112H122ClF10N47O8 — CID 158746732

IUPAC3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C25H28F3N9O2.C24H27F3N8O2.C22H21F3N10O.C21H23FN10O2.C20H23ClN10O/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;1-3-37-16-6-10-30-18(17(16)24(25,26)27)14-13-32-20(28)19(33-14)22(36)34-21-15(5-4-9-31-21)35-11-7-23(2,29)8-12-35;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);4-6,9-10,13H,3,7-8,11-12,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
InChIKeyIMZCXRIJQWVIEC-UHFFFAOYSA-N
MW2479.96 g/mol
LogP10.86
Rot. Bonds24

About 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 158746732) has the molecular formula C112H122ClF10N47O8 and a molecular weight of 2479.96 g/mol. Its IUPAC name is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID158746732
Molecular FormulaC112H122ClF10N47O8
Molecular Weight2479.96 g/mol
Exact Mass2478.01
IUPAC Name3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C25H28F3N9O2.C24H27F3N8O2.C22H21F3N10O.C21H23FN10O2.C20H23ClN10O/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;1-3-37-16-6-10-30-18(17(16)24(25,26)27)14-13-32-20(28)19(33-14)22(36)34-21-15(5-4-9-31-21)35-11-7-23(2,29)8-12-35;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);4-6,9-10,13H,3,7-8,11-12,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
InChIKeyIMZCXRIJQWVIEC-UHFFFAOYSA-N
XLogP10.86
TPSA832.97 Ų
H-Bond Donors17
H-Bond Acceptors49
Rotatable Bonds24
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002479.96
LogP ≤ 510.86
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1049

Analyze 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-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-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[4-ethoxy-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873244
3-amino-6-[4-ethoxy-3-(trifluoromethyl)pyridin-2-yl]-N-(3-piperidin-1-ylpyridin-2-yl)pyrazine-2-carboxamide
CID 124098028
3-amino-6-[5-[[3-[[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]pyridin-2-yl]carbamoyl]-5-[3-(trifluoromethoxy)pyridin-2-yl]pyrazin-2-yl]amino]-3-cyanopyridin-2-yl]-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]pyrazine-2-carboxamide
CID 132234333
3-amino-6-[5-[[3-[[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-(3-fluoro-2-pyridinyl)pyrazin-2-yl]amino]-3-fluoro-4-methoxy-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
CID 132234334
3-amino-6-[5-[[3-[[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]carbamoyl]-5-[5-[[3-[[3-[4-amino-4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]amino]-3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-4-methoxy-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
CID 132234335
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[5-[[3-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 135181604
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)pyridin-2-yl]-6-[5-[[3-[[3-[4-amino-4-(2-hydroxyethyl)piperidin-1-yl]pyridin-2-yl]carbamoyl]-5-[3-(trifluoromethyl)pyridin-2-yl]pyrazin-2-yl]amino]-3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 135182074
3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
CID 135182075
3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide
CID 157121693
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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(methoxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
CID 157483601
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-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
CID 157633334

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 158746732) is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C#N)ncc3C(F)(F)F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1.CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is IMZCXRIJQWVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N9O2.C24H27F3N8O2.C22H21F3N10O.C21H23FN10O2.C20H23ClN10O/c26-25(27,28)16-3-4-19(37-10-12-39-13-11-37)34-20(16)17-14-32-22(30)21(33-17)24(38)35-23-18(2-1-7-31-23)36-8-5-15(29)6-9-36;1-3-37-16-6-10-30-18(17(16)24(25,26)27)14-13-32-20(28)19(33-14)22(36)34-21-15(5-4-9-31-21)35-11-7-23(2,29)8-12-35;1-21(28)4-7-35(8-5-21)14-3-2-6-29-19(14)34-20(36)17-18(27)31-11-13(32-17)16-12(22(23,24)25)10-30-15(9-26)33-16;1-21(25)4-7-32(8-5-21)13-3-2-6-26-18(13)31-20(34)15-16(23)27-10-12(29-15)14-11(22)9-28-19(30-14)17(24)33;1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h1-4,7,14-15H,5-6,8-13,29H2,(H2,30,32)(H,31,35,38);4-6,9-10,13H,3,7-8,11-12,29H2,1-2H3,(H2,28,32)(H,31,34,36);2-3,6,10-11H,4-5,7-8,28H2,1H3,(H2,27,31)(H,29,34,36);2-3,6,9-10H,4-5,7-8,25H2,1H3,(H2,23,27)(H2,24,33)(H,26,31,34);2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32).
What are the key properties of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 2479.96 g/mol, XLogP of 10.86, 24 rotatable bonds, 17 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-carbamoyl-5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-cyano-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-ethoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 158746732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).