3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

C₃₅H₃₉N₇O₅ — CID 122588711

About 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 122588711) has the molecular formula C₃₅H₃₉N₇O₅ and a molecular weight of 637.74 g/mol. Its IUPAC name is 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
• PubChem CID: 122588711
• Molecular Formula: C₃₅H₃₉N₇O₅
• Molecular Weight: 637.74 g/mol
• Exact Mass: 637.30
• IUPAC Name: 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
• SMILES: Cn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O
• InChI: InChI=1S/C35H39N7O5/c1-39-34(45)47-32(38-39)26-4-2-23(3-5-26)24-8-14-41(15-9-24)30(43)21-40-16-12-35(22-40)13-17-42(33(35)44)27-6-7-29-28(20-27)31(37-36-29)25-10-18-46-19-11-25/h2-8,20,25H,9-19,21-22H2,1H3,(H,36,37)/t35-/m0/s1
• InChIKey: VOQRHOCHBNQSDK-DHUJRADRSA-N
• XLogP: 3.56
• TPSA: 129.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.74
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The IUPAC name of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (CID 122588711) is 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The canonical SMILES for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is Cn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O.

What is the InChIKey of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

The InChIKey is VOQRHOCHBNQSDK-DHUJRADRSA-N. The full InChI is InChI=1S/C35H39N7O5/c1-39-34(45)47-32(38-39)26-4-2-23(3-5-26)24-8-14-41(15-9-24)30(43)21-40-16-12-35(22-40)13-17-42(33(35)44)27-6-7-29-28(20-27)31(37-36-29)25-10-18-46-19-11-25/h2-8,20,25H,9-19,21-22H2,1H3,(H,36,37)/t35-/m0/s1.

What are the key properties of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?

3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 637.74 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(oxan-4-yl)-2H-indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 122588711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122588711 — identifiers, structure, computed properties (public domain)

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