(5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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

C117H126N24O9S — CID 157449889

About (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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 (PubChem CID 157449889) has the molecular formula C117H126N24O9S and a molecular weight of 2044.52 g/mol. Its IUPAC name is (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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.

Molecular Properties

• Compound Name: (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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
• PubChem CID: 157449889
• Molecular Formula: C117H126N24O9S
• Molecular Weight: 2044.52 g/mol
• Exact Mass: 2042.99
• IUPAC Name: (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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
• SMILES: CCNc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(OC(C)C)nc6)=NC7)C5=O)C4)CC3)cc2)o1.CCNc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(OC(C)C)nc6)=NC7)C5=O)C4)CC3)cc2)s1.Cc1cc(C2=NCc3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc32)ccn1
• InChI: InChI=1S/C40H44N8O4.C40H44N8O3S.C37H38N8O2/c2*1-4-41-39-45-44-37(52-39)29-7-5-27(6-8-29)28-13-17-47(18-14-28)35(49)24-46-19-15-40(25-46)16-20-48(38(40)50)32-11-9-30-22-43-36(33(30)21-32)31-10-12-34(42-23-31)51-26(2)3;1-25-19-29(9-14-38-25)34-32-20-31(8-7-30(32)21-39-34)45-18-13-37(36(45)47)12-17-43(23-37)22-33(46)44-15-10-27(11-16-44)26-3-5-28(6-4-26)35-40-24-42(2)41-35/h2*5-13,21,23,26H,4,14-20,22,24-25H2,1-3H3,(H,41,45);3-10,14,19-20,24H,11-13,15-18,21-23H2,1-2H3/t2*40-;37-/m000/s1
• InChIKey: BSRFDBMFLXVHLJ-DQCQYCFHSA-N
• XLogP: 15.64
• TPSA: 345.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.52
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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?

The IUPAC name of (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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 (CID 157449889) is (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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.

What is the SMILES notation for (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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?

The canonical SMILES for (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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 is CCNc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(OC(C)C)nc6)=NC7)C5=O)C4)CC3)cc2)o1.CCNc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccc(OC(C)C)nc6)=NC7)C5=O)C4)CC3)cc2)s1.Cc1cc(C2=NCc3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc32)ccn1.

What is the InChIKey of (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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?

The InChIKey is BSRFDBMFLXVHLJ-DQCQYCFHSA-N. The full InChI is InChI=1S/C40H44N8O4.C40H44N8O3S.C37H38N8O2/c2*1-4-41-39-45-44-37(52-39)29-7-5-27(6-8-29)28-13-17-47(18-14-28)35(49)24-46-19-15-40(25-46)16-20-48(38(40)50)32-11-9-30-22-43-36(33(30)21-32)31-10-12-34(42-23-31)51-26(2)3;1-25-19-29(9-14-38-25)34-32-20-31(8-7-30(32)21-39-34)45-18-13-37(36(45)47)12-17-43(23-37)22-33(46)44-15-10-27(11-16-44)26-3-5-28(6-4-26)35-40-24-42(2)41-35/h2*5-13,21,23,26H,4,14-20,22,24-25H2,1-3H3,(H,41,45);3-10,14,19-20,24H,11-13,15-18,21-23H2,1-2H3/t2*40-;37-/m000/s1.

What are the key properties of (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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 has a molecular weight of 2044.52 g/mol, XLogP of 15.64, 26 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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)-7-[2-[4-[4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-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-(2-methyl-4-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 is sourced from PubChem (CID 157449889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).