(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

C174H200N52O15S5 — CID 161462612

About (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 161462612) has the molecular formula C174H200N52O15S5 and a molecular weight of 3420.20 g/mol. Its IUPAC name is (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 161462612
• Molecular Formula: C174H200N52O15S5
• Molecular Weight: 3420.20 g/mol
• Exact Mass: 3417.51
• IUPAC Name: (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: [H]/N=C(\c1ccc(C)cc1)c1nc(N2CC[C@]3(CCN(C(C)C(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)c(OC)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5nnc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1nc(N2CC[C@]3(CCN(C(C)C(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6cn(C)cn6)s5)CC4)C3)C2=O)ccc1N
• InChI: InChI=1S/C36H42N10O4S.C35H41N11O3S.C35H40N10O3S.C34H39N11O3S.C34H38N10O2S/c1-22(2)50-26-7-5-24(17-27(26)49-4)31(38)32-25(37)6-8-29(41-32)46-16-12-36(35(46)48)11-15-44(20-36)19-30(47)45-13-9-23(10-14-45)34-39-18-28(51-34)33-40-21-43(3)42-33;1-21(2)49-28-8-5-24(17-38-28)29(37)30-25(36)6-7-27(41-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-39-18-26(50-32)31-40-20-43(4)42-31;1-22(2)48-29-7-4-24(16-38-29)31(37)32-25(36)5-6-28(41-32)45-15-11-35(34(45)47)10-14-43(20-35)19-30(46)44-12-8-23(9-13-44)33-39-17-27(49-33)26-18-42(3)21-40-26;1-21(2)48-24-6-4-22(5-7-24)28(36)29-25(35)8-9-26(38-29)45-17-13-34(33(45)47)12-16-43(19-34)18-27(46)44-14-10-23(11-15-44)31-39-40-32(49-31)30-37-20-42(3)41-30;1-21-4-6-23(7-5-21)28(36)29-25(35)8-9-27(39-29)44-17-13-34(33(44)46)12-16-43(19-34)22(2)32(45)42-14-10-24(11-15-42)31-37-18-26(47-31)30-38-20-41(3)40-30/h5-9,17-18,21-22,38H,10-16,19-20,37H2,1-4H3;5-9,17-18,20-22,37H,10-16,19,36H2,1-4H3;4-8,16-18,21-22,37H,9-15,19-20,36H2,1-3H3;4-10,20-21,36H,11-19,35H2,1-3H3;4-10,18,20,22,36H,11-17,19,35H2,1-3H3/b38-31+;37-29+;37-31+;2*36-28+/t36-;22?,35-;35-;34-;22?,34-/m00000/s1
• InChIKey: WBZYKMCYXMLMDV-WVPJDMTPSA-N
• XLogP: 18.42
• TPSA: 823.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 62
• Rotatable Bonds: 44
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3420.20
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 161462612) is (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is [H]/N=C(\c1ccc(C)cc1)c1nc(N2CC[C@]3(CCN(C(C)C(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)c(OC)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5nnc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1nc(N2CC[C@]3(CCN(C(C)C(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6cn(C)cn6)s5)CC4)C3)C2=O)ccc1N.

What is the InChIKey of (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is WBZYKMCYXMLMDV-WVPJDMTPSA-N. The full InChI is InChI=1S/C36H42N10O4S.C35H41N11O3S.C35H40N10O3S.C34H39N11O3S.C34H38N10O2S/c1-22(2)50-26-7-5-24(17-27(26)49-4)31(38)32-25(37)6-8-29(41-32)46-16-12-36(35(46)48)11-15-44(20-36)19-30(47)45-13-9-23(10-14-45)34-39-18-28(51-34)33-40-21-43(3)42-33;1-21(2)49-28-8-5-24(17-38-28)29(37)30-25(36)6-7-27(41-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-39-18-26(50-32)31-40-20-43(4)42-31;1-22(2)48-29-7-4-24(16-38-29)31(37)32-25(36)5-6-28(41-32)45-15-11-35(34(45)47)10-14-43(20-35)19-30(46)44-12-8-23(9-13-44)33-39-17-27(49-33)26-18-42(3)21-40-26;1-21(2)48-24-6-4-22(5-7-24)28(36)29-25(35)8-9-26(38-29)45-17-13-34(33(45)47)12-16-43(19-34)18-27(46)44-14-10-23(11-15-44)31-39-40-32(49-31)30-37-20-42(3)41-30;1-21-4-6-23(7-5-21)28(36)29-25(35)8-9-27(39-29)44-17-13-34(33(44)46)12-16-43(19-34)22(2)32(45)42-14-10-24(11-15-42)31-37-18-26(47-31)30-38-20-41(3)40-30/h5-9,17-18,21-22,38H,10-16,19-20,37H2,1-4H3;5-9,17-18,20-22,37H,10-16,19,36H2,1-4H3;4-8,16-18,21-22,37H,9-15,19-20,36H2,1-3H3;4-10,20-21,36H,11-19,35H2,1-3H3;4-10,18,20,22,36H,11-17,19,35H2,1-3H3/b38-31+;37-29+;37-31+;2*36-28+/t36-;22?,35-;35-;34-;22?,34-/m00000/s1.

What are the key properties of (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?

(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 3420.20 g/mol, XLogP of 18.42, 44 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-methylbenzenecarboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 161462612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).