3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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

C34H38N8O5 — CID 122588751

IUPAC3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(N8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=1S/C34H38N8O5/c1-38-33(45)47-31(37-38)25-4-2-23(3-5-25)24-8-12-40(13-9-24)29(43)21-39-14-10-34(22-39)11-15-42(32(34)44)26-6-7-28-27(20-26)30(36-35-28)41-16-18-46-19-17-41/h2-8,20H,9-19,21-22H2,1H3,(H,35,36)
InChIKeyYTBBIYPNNDERSK-UHFFFAOYSA-N
MW638.73 g/mol
LogP2.50
Rot. Bonds6

About 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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-[2-(3-morpholin-4-yl-1H-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 122588751) has the molecular formula C34H38N8O5 and a molecular weight of 638.73 g/mol. Its IUPAC name is 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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 Name3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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 CID122588751
Molecular FormulaC34H38N8O5
Molecular Weight638.73 g/mol
Exact Mass638.30
IUPAC Name3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(N8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=1S/C34H38N8O5/c1-38-33(45)47-31(37-38)25-4-2-23(3-5-25)24-8-12-40(13-9-24)29(43)21-39-14-10-34(22-39)11-15-42(32(34)44)26-6-7-28-27(20-26)30(36-35-28)41-16-18-46-19-17-41/h2-8,20H,9-19,21-22H2,1H3,(H,35,36)
InChIKeyYTBBIYPNNDERSK-UHFFFAOYSA-N
XLogP2.50
TPSA133.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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-[2-(3-morpholin-4-yl-1H-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 122588751) is 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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-[2-(3-morpholin-4-yl-1H-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-[2-(3-morpholin-4-yl-1H-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)CN4CCC5(CCN(c6ccc7[nH]nc(N8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O.
What is the InChIKey of 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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 YTBBIYPNNDERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O5/c1-38-33(45)47-31(37-38)25-4-2-23(3-5-25)24-8-12-40(13-9-24)29(43)21-39-14-10-34(22-39)11-15-42(32(34)44)26-6-7-28-27(20-26)30(36-35-28)41-16-18-46-19-17-41/h2-8,20H,9-19,21-22H2,1H3,(H,35,36).
What are the key properties of 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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-[2-(3-morpholin-4-yl-1H-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 638.73 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[1-[2-[2-(3-morpholin-4-yl-1H-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 122588751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).