5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C131H162ClN45O18 — CID 165043908

IUPAC5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C(N)=O)nc2)on1.Cc1ccc(-c2cc(NC(=O)Cc3cnc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1
InChIInChI=1S/C23H23ClN8O3.C23H29N7O3.C22H28N8O3.C22H29N7O3.C21H27N7O3.C20H26N8O3/c1-11(2)32-22(25)20(23(26)34)21(30-32)17-10-27-13(9-28-17)7-18(33)29-19-8-16(31-35-19)14-5-4-12(3)6-15(14)24;1-13(2)30-21(24)19(22(25)32)20(28-30)15-7-6-14(12-26-15)10-18(31)27-17-11-16(33-29-17)23(3)8-4-5-9-23;1-12(2)30-20(23)18(21(24)32)19(28-30)14-11-25-13(10-26-14)8-17(31)27-16-9-15(33-29-16)22(3)6-4-5-7-22;1-6-22(4,5)15-10-17(32-28-15)26-16(30)9-13-7-8-14(25-11-13)19-18(21(24)31)20(23)29(27-19)12(2)3;1-11(2)28-19(22)17(20(23)30)18(26-28)13-7-6-12(10-24-13)8-16(29)25-15-9-14(31-27-15)21(3,4)5;1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h4-6,8-11H,7,25H2,1-3H3,(H2,26,34)(H,29,33);6-7,11-13H,4-5,8-10,24H2,1-3H3,(H2,25,32)(H,27,29,31);9-12H,4-8,23H2,1-3H3,(H2,24,32)(H,27,29,31);7-8,10-12H,6,9,23H2,1-5H3,(H2,24,31)(H,26,30);6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29);7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29)
InChIKeyOORGZMRIQHYONF-UHFFFAOYSA-N
MW2690.49 g/mol
LogP17.02
Rot. Bonds41

About 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 165043908) has the molecular formula C131H162ClN45O18 and a molecular weight of 2690.49 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID165043908
Molecular FormulaC131H162ClN45O18
Molecular Weight2690.49 g/mol
Exact Mass2688.28
IUPAC Name5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C(N)=O)nc2)on1.Cc1ccc(-c2cc(NC(=O)Cc3cnc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1
InChIInChI=1S/C23H23ClN8O3.C23H29N7O3.C22H28N8O3.C22H29N7O3.C21H27N7O3.C20H26N8O3/c1-11(2)32-22(25)20(23(26)34)21(30-32)17-10-27-13(9-28-17)7-18(33)29-19-8-16(31-35-19)14-5-4-12(3)6-15(14)24;1-13(2)30-21(24)19(22(25)32)20(28-30)15-7-6-14(12-26-15)10-18(31)27-17-11-16(33-29-17)23(3)8-4-5-9-23;1-12(2)30-20(23)18(21(24)32)19(28-30)14-11-25-13(10-26-14)8-17(31)27-16-9-15(33-29-16)22(3)6-4-5-7-22;1-6-22(4,5)15-10-17(32-28-15)26-16(30)9-13-7-8-14(25-11-13)19-18(21(24)31)20(23)29(27-19)12(2)3;1-11(2)28-19(22)17(20(23)30)18(26-28)13-7-6-12(10-24-13)8-16(29)25-15-9-14(31-27-15)21(3,4)5;1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h4-6,8-11H,7,25H2,1-3H3,(H2,26,34)(H,29,33);6-7,11-13H,4-5,8-10,24H2,1-3H3,(H2,25,32)(H,27,29,31);9-12H,4-8,23H2,1-3H3,(H2,24,32)(H,27,29,31);7-8,10-12H,6,9,23H2,1-5H3,(H2,24,31)(H,26,30);6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29);7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29)
InChIKeyOORGZMRIQHYONF-UHFFFAOYSA-N
XLogP17.02
TPSA968.37 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002690.49
LogP ≤ 517.02
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Analyze 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-amino-3-[5-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291934
5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292128
5-amino-3-[4-[1-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163624177
5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291915
5-amino-3-[6-[1-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 170152045
2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 167058900
5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765448
5-amino-3-[2-chloro-4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292111
5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 164765642
5-amino-3-[3-methyl-4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292169
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765585

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 165043908) is 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C4(C)CCCC4)on3)cn2)c(C(N)=O)c1N.CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C(N)=O)nc2)on1.Cc1ccc(-c2cc(NC(=O)Cc3cnc(-c4nn(C(C)C)c(N)c4C(N)=O)cn3)on2)c(Cl)c1.
What is the InChIKey of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OORGZMRIQHYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O3.C23H29N7O3.C22H28N8O3.C22H29N7O3.C21H27N7O3.C20H26N8O3/c1-11(2)32-22(25)20(23(26)34)21(30-32)17-10-27-13(9-28-17)7-18(33)29-19-8-16(31-35-19)14-5-4-12(3)6-15(14)24;1-13(2)30-21(24)19(22(25)32)20(28-30)15-7-6-14(12-26-15)10-18(31)27-17-11-16(33-29-17)23(3)8-4-5-9-23;1-12(2)30-20(23)18(21(24)32)19(28-30)14-11-25-13(10-26-14)8-17(31)27-16-9-15(33-29-16)22(3)6-4-5-7-22;1-6-22(4,5)15-10-17(32-28-15)26-16(30)9-13-7-8-14(25-11-13)19-18(21(24)31)20(23)29(27-19)12(2)3;1-11(2)28-19(22)17(20(23)30)18(26-28)13-7-6-12(10-24-13)8-16(29)25-15-9-14(31-27-15)21(3,4)5;1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h4-6,8-11H,7,25H2,1-3H3,(H2,26,34)(H,29,33);6-7,11-13H,4-5,8-10,24H2,1-3H3,(H2,25,32)(H,27,29,31);9-12H,4-8,23H2,1-3H3,(H2,24,32)(H,27,29,31);7-8,10-12H,6,9,23H2,1-5H3,(H2,24,31)(H,26,30);6-7,9-11H,8,22H2,1-5H3,(H2,23,30)(H,25,27,29);7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29).
What are the key properties of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 2690.49 g/mol, XLogP of 17.02, 41 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[2-[[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 165043908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).