(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one

C168H190N48O12S5 — CID 159024684

About (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-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-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 159024684) has the molecular formula C168H190N48O12S5 and a molecular weight of 3234.03 g/mol. Its IUPAC name is (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 159024684
• Molecular Formula: C168H190N48O12S5
• Molecular Weight: 3234.03 g/mol
• Exact Mass: 3231.43
• IUPAC Name: (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: [H]/N=C(/c1nc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N)C1CCOCC1.[H]/N=C(\c1ccc(C)cn1)c1cc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(C)cn1)c1cc(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)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N
• InChI: InChI=1S/C35H40N10O3S.C34H37N9O2S.C33H36N10O3S.C33H36N10O2S.C33H41N9O2S/c1-22(2)48-29-9-4-24(18-38-29)31(37)32-25(36)5-8-28(40-32)45-17-13-35(34(45)47)12-16-43(20-35)19-30(46)44-14-10-23(11-15-44)26-6-7-27(49-26)33-39-21-42(3)41-33;1-22-3-6-27(37-18-22)31(36)25-17-24(4-5-26(25)35)43-16-12-34(33(43)45)11-15-41(20-34)19-30(44)42-13-9-23(10-14-42)28-7-8-29(46-28)32-38-21-40(2)39-32;1-40-20-37-31(39-40)25-6-5-24(47-25)21-9-13-42(14-10-21)28(44)18-41-15-11-33(19-41)12-16-43(32(33)45)26-7-4-23(34)30(38-26)29(35)22-3-8-27(46-2)36-17-22;1-21-3-6-26(36-16-21)29(35)24-15-23(4-5-25(24)34)43-14-10-33(32(43)45)9-13-41(19-33)18-28(44)42-11-7-22(8-12-42)31-37-17-27(46-31)30-38-20-40(2)39-30;1-22(41-13-7-23(8-14-41)26-4-5-27(45-26)31-36-21-39(2)38-31)19-40-15-11-33(20-40)12-16-42(32(33)43)28-6-3-25(34)30(37-28)29(35)24-9-17-44-18-10-24/h4-10,18,21-22,37H,11-17,19-20,36H2,1-3H3;3-9,17-18,21,36H,10-16,19-20,35H2,1-2H3;3-9,17,20,35H,10-16,18-19,34H2,1-2H3;3-7,15-17,20,35H,8-14,18-19,34H2,1-2H3;3-7,21,24,35H,1,8-20,34H2,2H3/b37-31+;36-31-;35-29+;35-29-;35-29+/t35-;34-;3*33-/m00000/s1
• InChIKey: JUDFFJLOQGPESD-DVKIXOKQSA-N
• XLogP: 18.37
• TPSA: 735.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 39
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3234.03
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 159024684) is (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is [H]/N=C(/c1nc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N)C1CCOCC1.[H]/N=C(\c1ccc(C)cn1)c1cc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(C)cn1)c1cc(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)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.

What is the InChIKey of (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is JUDFFJLOQGPESD-DVKIXOKQSA-N. The full InChI is InChI=1S/C35H40N10O3S.C34H37N9O2S.C33H36N10O3S.C33H36N10O2S.C33H41N9O2S/c1-22(2)48-29-9-4-24(18-38-29)31(37)32-25(36)5-8-28(40-32)45-17-13-35(34(45)47)12-16-43(20-35)19-30(46)44-14-10-23(11-15-44)26-6-7-27(49-26)33-39-21-42(3)41-33;1-22-3-6-27(37-18-22)31(36)25-17-24(4-5-26(25)35)43-16-12-34(33(43)45)11-15-41(20-34)19-30(44)42-13-9-23(10-14-42)28-7-8-29(46-28)32-38-21-40(2)39-32;1-40-20-37-31(39-40)25-6-5-24(47-25)21-9-13-42(14-10-21)28(44)18-41-15-11-33(19-41)12-16-43(32(33)45)26-7-4-23(34)30(38-26)29(35)22-3-8-27(46-2)36-17-22;1-21-3-6-26(36-16-21)29(35)24-15-23(4-5-25(24)34)43-14-10-33(32(43)45)9-13-41(19-33)18-28(44)42-11-7-22(8-12-42)31-37-17-27(46-31)30-38-20-40(2)39-30;1-22(41-13-7-23(8-14-41)26-4-5-27(45-26)31-36-21-39(2)38-31)19-40-15-11-33(20-40)12-16-42(32(33)43)28-6-3-25(34)30(37-28)29(35)24-9-17-44-18-10-24/h4-10,18,21-22,37H,11-17,19-20,36H2,1-3H3;3-9,17-18,21,36H,10-16,19-20,35H2,1-2H3;3-9,17,20,35H,10-16,18-19,34H2,1-2H3;3-7,15-17,20,35H,8-14,18-19,34H2,1-2H3;3-7,21,24,35H,1,8-20,34H2,2H3/b37-31+;36-31-;35-29+;35-29-;35-29+/t35-;34-;3*33-/m00000/s1.

What are the key properties of (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-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-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 3234.03 g/mol, XLogP of 18.37, 39 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-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-[4-amino-3-(5-methylpyridine-2-carboximidoyl)phenyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(oxane-4-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-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-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 159024684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).