(5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one

C114H117F2N23O7 — CID 157309771

About (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 157309771) has the molecular formula C114H117F2N23O7 and a molecular weight of 1959.34 g/mol. Its IUPAC name is (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 157309771
• Molecular Formula: C114H117F2N23O7
• Molecular Weight: 1959.34 g/mol
• Exact Mass: 1957.95
• IUPAC Name: (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)Oc1ccc(C2=NCc3ccc(N4CC[C@]5(CCN(CC(=O)N6CCC(F)(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc32)cn1.Cc1cnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C)c6)=NC7)C5=O)C4)CC3)cc2)nc1.Cn1cnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(F)nc6)=NC7)C5=O)C4)CC3)cc2)n1
• InChI: InChI=1S/C39H43FN8O3.C39H39N7O2.C36H35FN8O2/c1-26(2)51-33-11-7-29(22-41-33)35-32-20-31(10-6-28(32)21-42-35)48-19-13-38(37(48)50)12-16-46(24-38)23-34(49)47-17-14-39(40,15-18-47)30-8-4-27(5-9-30)36-43-25-45(3)44-36;1-26-21-42-37(43-22-26)30-5-3-28(4-6-30)29-10-15-45(16-11-29)35(47)24-44-17-12-39(25-44)13-18-46(38(39)48)33-8-7-32-23-41-36(34(32)20-33)31-9-14-40-27(2)19-31;1-42-23-40-34(41-42)26-4-2-24(3-5-26)25-10-14-44(15-11-25)32(46)21-43-16-12-36(22-43)13-17-45(35(36)47)29-8-6-27-19-39-33(30(27)18-29)28-7-9-31(37)38-20-28/h4-11,20,22,25-26H,12-19,21,23-24H2,1-3H3;3-10,14,19-22H,11-13,15-18,23-25H2,1-2H3;2-10,18,20,23H,11-17,19,21-22H2,1H3/t38-;39-;36-/m000/s1
• InChIKey: BCXCUQRYQPWBAB-DWDFYSHISA-N
• XLogP: 14.29
• TPSA: 303.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1959.34
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 157309771) is (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is CC(C)Oc1ccc(C2=NCc3ccc(N4CC[C@]5(CCN(CC(=O)N6CCC(F)(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc32)cn1.Cc1cnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C)c6)=NC7)C5=O)C4)CC3)cc2)nc1.Cn1cnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(F)nc6)=NC7)C5=O)C4)CC3)cc2)n1.

What is the InChIKey of (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is BCXCUQRYQPWBAB-DWDFYSHISA-N. The full InChI is InChI=1S/C39H43FN8O3.C39H39N7O2.C36H35FN8O2/c1-26(2)51-33-11-7-29(22-41-33)35-32-20-31(10-6-28(32)21-42-35)48-19-13-38(37(48)50)12-16-46(24-38)23-34(49)47-17-14-39(40,15-18-47)30-8-4-27(5-9-30)36-43-25-45(3)44-36;1-26-21-42-37(43-22-26)30-5-3-28(4-6-30)29-10-15-45(16-11-29)35(47)24-44-17-12-39(25-44)13-18-46(38(39)48)33-8-7-32-23-41-36(34(32)20-33)31-9-14-40-27(2)19-31;1-42-23-40-34(41-42)26-4-2-24(3-5-26)25-10-14-44(15-11-25)32(46)21-43-16-12-36(22-43)13-17-45(35(36)47)29-8-6-27-19-39-33(30(27)18-29)28-7-9-31(37)38-20-28/h4-11,20,22,25-26H,12-19,21,23-24H2,1-3H3;3-10,14,19-22H,11-13,15-18,23-25H2,1-2H3;2-10,18,20,23H,11-17,19,21-22H2,1H3/t38-;39-;36-/m000/s1.

What are the key properties of (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?

(5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 1959.34 g/mol, XLogP of 14.29, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[2-[4-fluoro-4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-fluoro-3-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(5-methylpyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 157309771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).