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

C37H34N8O4 — CID 122588848

IUPAC4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(C#N)cc8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=1S/C37H34N8O4/c1-42-36(48)49-34(41-42)28-8-6-25(7-9-28)26-12-16-44(17-13-26)32(46)22-43-18-14-37(23-43)15-19-45(35(37)47)29-10-11-31-30(20-29)33(40-39-31)27-4-2-24(21-38)3-5-27/h2-12,20H,13-19,22-23H2,1H3,(H,39,40)/t37-/m0/s1
InChIKeyCFIIXPSJXDHGHV-QNGWXLTQSA-N
MW654.73 g/mol
LogP4.20
Rot. Bonds6

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

4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile (PubChem CID 122588848) has the molecular formula C37H34N8O4 and a molecular weight of 654.73 g/mol. Its IUPAC name is 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile
PubChem CID122588848
Molecular FormulaC37H34N8O4
Molecular Weight654.73 g/mol
Exact Mass654.27
IUPAC Name4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(C#N)cc8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=1S/C37H34N8O4/c1-42-36(48)49-34(41-42)28-8-6-25(7-9-28)26-12-16-44(17-13-26)32(46)22-43-18-14-37(23-43)15-19-45(35(37)47)29-10-11-31-30(20-29)33(40-39-31)27-4-2-24(21-38)3-5-27/h2-12,20H,13-19,22-23H2,1H3,(H,39,40)/t37-/m0/s1
InChIKeyCFIIXPSJXDHGHV-QNGWXLTQSA-N
XLogP4.20
TPSA144.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile?
The IUPAC name of 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile (CID 122588848) is 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile?
The canonical SMILES for 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile is Cn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(C#N)cc8)c7c6)C5=O)C4)CC3)cc2)oc1=O.
What is the InChIKey of 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile?
The InChIKey is CFIIXPSJXDHGHV-QNGWXLTQSA-N. The full InChI is InChI=1S/C37H34N8O4/c1-42-36(48)49-34(41-42)28-8-6-25(7-9-28)26-12-16-44(17-13-26)32(46)22-43-18-14-37(23-43)15-19-45(35(37)47)29-10-11-31-30(20-29)33(40-39-31)27-4-2-24(21-38)3-5-27/h2-12,20H,13-19,22-23H2,1H3,(H,39,40)/t37-/m0/s1.
What are the key properties of 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile?
4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile has a molecular weight of 654.73 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5S)-7-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile is sourced from PubChem (CID 122588848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).