5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one

C37H42N8O5 — CID 122588774

IUPAC5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CCC(c2[nH]nc3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)cc23)CC1
InChIInChI=1S/C37H42N8O5/c1-24(46)43-15-11-27(12-16-43)33-30-21-29(7-8-31(30)38-39-33)45-20-14-37(35(45)48)13-19-42(23-37)22-32(47)44-17-9-26(10-18-44)25-3-5-28(6-4-25)34-40-41(2)36(49)50-34/h3-9,21,27H,10-20,22-23H2,1-2H3,(H,38,39)/t37-/m0/s1
InChIKeyPGOSFFMPLHMFDQ-QNGWXLTQSA-N
MW678.79 g/mol
LogP3.39
Rot. Bonds6

About 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one

5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 122588774) has the molecular formula C37H42N8O5 and a molecular weight of 678.79 g/mol. Its IUPAC name is 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID122588774
Molecular FormulaC37H42N8O5
Molecular Weight678.79 g/mol
Exact Mass678.33
IUPAC Name5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CCC(c2[nH]nc3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)cc23)CC1
InChIInChI=1S/C37H42N8O5/c1-24(46)43-15-11-27(12-16-43)33-30-21-29(7-8-31(30)38-39-33)45-20-14-37(35(45)48)13-19-42(23-37)22-32(47)44-17-9-26(10-18-44)25-3-5-28(6-4-25)34-40-41(2)36(49)50-34/h3-9,21,27H,10-20,22-23H2,1-2H3,(H,38,39)/t37-/m0/s1
InChIKeyPGOSFFMPLHMFDQ-QNGWXLTQSA-N
XLogP3.39
TPSA140.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one (CID 122588774) is 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one is CC(=O)N1CCC(c2[nH]nc3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)cc23)CC1.
What is the InChIKey of 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is PGOSFFMPLHMFDQ-QNGWXLTQSA-N. The full InChI is InChI=1S/C37H42N8O5/c1-24(46)43-15-11-27(12-16-43)33-30-21-29(7-8-31(30)38-39-33)45-20-14-37(35(45)48)13-19-42(23-37)22-32(47)44-17-9-26(10-18-44)25-3-5-28(6-4-25)34-40-41(2)36(49)50-34/h3-9,21,27H,10-20,22-23H2,1-2H3,(H,38,39)/t37-/m0/s1.
What are the key properties of 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one?
5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 678.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[2-[(5S)-2-[3-(1-acetylpiperidin-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]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 122588774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).