3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide

C176H209Cl7N62O21 — CID 157426324

IUPAC3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)NC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccn1.CC(C)NC(=O)n1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C(C)C.Cc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(CC(=O)CC(C)C)nc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C30H31ClN8O3.C25H29ClN10O3.C25H30ClN9O2.2C25H31ClN8O3.C24H29ClN8O4.C22H28ClN11O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-13(2)30-24(39)36-9-6-14-15(4-3-5-16(14)36)22(38)35-10-7-25(8-11-35)12-29-23(34-25)33-21(37)17-19(27)32-20(28)18(26)31-17;1-12(2)17-13(3)30-16-5-4-14(10-15(16)17)23(37)35-8-6-25(7-9-35)11-29-24(34-25)33-22(36)18-20(27)32-21(28)19(26)31-18;1-14(2)10-18(35)11-17-5-4-16(12-28-17)23(37)34-8-6-25(7-9-34)13-29-24(33-25)32-22(36)19-21(27)30-15(3)20(26)31-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-23(2,3)37-21(36)14-6-4-13(5-7-14)20(35)33-10-8-24(9-11-33)12-28-22(32-24)31-19(34)15-17(26)30-18(27)16(25)29-15;1-11(2)28-21(37)29-13-9-12(3-6-26-13)19(36)34-7-4-22(5-8-34)10-27-20(33-22)32-18(35)14-16(24)31-17(25)15(23)30-14/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6,9,13H,7-8,10-12H2,1-2H3,(H,30,39)(H4,27,28,32)(H2,29,33,34,37);4-5,10,12,30H,6-9,11H2,1-3H3,(H4,27,28,32)(H2,29,33,34,36);4-5,12,14H,6-11,13H2,1-3H3,(H2,27,30)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);4-7H,8-12H2,1-3H3,(H4,26,27,30)(H2,28,31,32,34);3,6,9,11H,4-5,7-8,10H2,1-2H3,(H4,24,25,31)(H2,26,28,29,37)(H2,27,32,33,35)
InChIKeyBPZQBHRKSWTWRZ-UHFFFAOYSA-N
MW3777.19 g/mol
LogP14.03
Rot. Bonds31

About 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide

3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide (PubChem CID 157426324) has the molecular formula C176H209Cl7N62O21 and a molecular weight of 3777.19 g/mol. Its IUPAC name is 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide
PubChem CID157426324
Molecular FormulaC176H209Cl7N62O21
Molecular Weight3777.19 g/mol
Exact Mass3771.50
IUPAC Name3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)NC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccn1.CC(C)NC(=O)n1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C(C)C.Cc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(CC(=O)CC(C)C)nc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C30H31ClN8O3.C25H29ClN10O3.C25H30ClN9O2.2C25H31ClN8O3.C24H29ClN8O4.C22H28ClN11O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-13(2)30-24(39)36-9-6-14-15(4-3-5-16(14)36)22(38)35-10-7-25(8-11-35)12-29-23(34-25)33-21(37)17-19(27)32-20(28)18(26)31-17;1-12(2)17-13(3)30-16-5-4-14(10-15(16)17)23(37)35-8-6-25(7-9-35)11-29-24(34-25)33-22(36)18-20(27)32-21(28)19(26)31-18;1-14(2)10-18(35)11-17-5-4-16(12-28-17)23(37)34-8-6-25(7-9-34)13-29-24(33-25)32-22(36)19-21(27)30-15(3)20(26)31-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-23(2,3)37-21(36)14-6-4-13(5-7-14)20(35)33-10-8-24(9-11-33)12-28-22(32-24)31-19(34)15-17(26)30-18(27)16(25)29-15;1-11(2)28-21(37)29-13-9-12(3-6-26-13)19(36)34-7-4-22(5-8-34)10-27-20(33-22)32-18(35)14-16(24)31-17(25)15(23)30-14/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6,9,13H,7-8,10-12H2,1-2H3,(H,30,39)(H4,27,28,32)(H2,29,33,34,37);4-5,10,12,30H,6-9,11H2,1-3H3,(H4,27,28,32)(H2,29,33,34,36);4-5,12,14H,6-11,13H2,1-3H3,(H2,27,30)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);4-7H,8-12H2,1-3H3,(H4,26,27,30)(H2,28,31,32,34);3,6,9,11H,4-5,7-8,10H2,1-2H3,(H4,24,25,31)(H2,26,28,29,37)(H2,27,32,33,35)
InChIKeyBPZQBHRKSWTWRZ-UHFFFAOYSA-N
XLogP14.03
TPSA1214.62 Ų
H-Bond Donors30
H-Bond Acceptors65
Rotatable Bonds31
Heavy Atoms266
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003777.19
LogP ≤ 514.03
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide (CID 157426324) is 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide is CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)NC(=O)Nc1cc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccn1.CC(C)NC(=O)n1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C(C)C.Cc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(CC(=O)CC(C)C)nc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide?
The InChIKey is BPZQBHRKSWTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN8O3.C25H29ClN10O3.C25H30ClN9O2.2C25H31ClN8O3.C24H29ClN8O4.C22H28ClN11O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19;1-13(2)30-24(39)36-9-6-14-15(4-3-5-16(14)36)22(38)35-10-7-25(8-11-35)12-29-23(34-25)33-21(37)17-19(27)32-20(28)18(26)31-17;1-12(2)17-13(3)30-16-5-4-14(10-15(16)17)23(37)35-8-6-25(7-9-35)11-29-24(34-25)33-22(36)18-20(27)32-21(28)19(26)31-18;1-14(2)10-18(35)11-17-5-4-16(12-28-17)23(37)34-8-6-25(7-9-34)13-29-24(33-25)32-22(36)19-21(27)30-15(3)20(26)31-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-23(2,3)37-21(36)14-6-4-13(5-7-14)20(35)33-10-8-24(9-11-33)12-28-22(32-24)31-19(34)15-17(26)30-18(27)16(25)29-15;1-11(2)28-21(37)29-13-9-12(3-6-26-13)19(36)34-7-4-22(5-8-34)10-27-20(33-22)32-18(35)14-16(24)31-17(25)15(23)30-14/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40);3-6,9,13H,7-8,10-12H2,1-2H3,(H,30,39)(H4,27,28,32)(H2,29,33,34,37);4-5,10,12,30H,6-9,11H2,1-3H3,(H4,27,28,32)(H2,29,33,34,36);4-5,12,14H,6-11,13H2,1-3H3,(H2,27,30)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);4-7H,8-12H2,1-3H3,(H4,26,27,30)(H2,28,31,32,34);3,6,9,11H,4-5,7-8,10H2,1-2H3,(H4,24,25,31)(H2,26,28,29,37)(H2,27,32,33,35).
What are the key properties of 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide?
3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide has a molecular weight of 3777.19 g/mol, XLogP of 14.03, 31 rotatable bonds, 30 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide is sourced from PubChem (CID 157426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).