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

IUPAC3-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
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=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
InChIKeyVOQRHOCHBNQSDK-DHUJRADRSA-N
MW637.74 g/mol
LogP3.56
Rot. Bonds6

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 Name3-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 CID122588711
Molecular FormulaC35H39N7O5
Molecular Weight637.74 g/mol
Exact Mass637.30
IUPAC Name3-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
SMILESCn1nc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CCOCC8)c7c6)C5=O)C4)CC3)cc2)oc1=O
InChIInChI=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
InChIKeyVOQRHOCHBNQSDK-DHUJRADRSA-N
XLogP3.56
TPSA129.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[3-fluoro-4-[1-[2-[(3R)-3-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]-3-propylpyrrolidin-1-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethenyl N-ethyl-N'-methylcarbamimidate
CID 70217631
1-[4-[1-[2-[(5S)-1-oxo-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidoyl]oxyethylideneazanium
CID 145165484
3-methyl-5-[4-[1-[2-[(5S)-1-oxo-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
CID 156287131
ethanimidoyl 4-[1-[2-[(5S)-1-oxo-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate
CID 145165485
benzyl (2S)-2-[3-[4-[5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate
CID 68069123
3-methyl-5-[4-[1-[2-[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 122588714
2-methoxy-5-[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 122588729
2-methoxy-5-[5-[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 122588730
3-methyl-5-[4-[1-[2-[(5S)-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 122588750
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
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
5-[4-[1-[2-[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 122588777

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).