2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one

C30H32N6O4 — CID 142585175

IUPAC2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(-c5noc(C(C)C)n5)cc4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C30H32N6O4/c1-19(2)27-33-26(34-40-27)20-4-6-21(7-5-20)28(37)35-13-10-30(11-14-35)12-15-36(29(30)38)23-8-9-24(25(16-23)39-3)22-17-31-32-18-22/h4-9,16-19H,10-15H2,1-3H3,(H,31,32)
InChIKeyWKJMTOQHAUHFAQ-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.92
Rot. Bonds6

About 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one

2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 142585175) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID142585175
Molecular FormulaC30H32N6O4
Molecular Weight540.62 g/mol
Exact Mass540.25
IUPAC Name2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(-c5noc(C(C)C)n5)cc4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C30H32N6O4/c1-19(2)27-33-26(34-40-27)20-4-6-21(7-5-20)28(37)35-13-10-30(11-14-35)12-15-36(29(30)38)23-8-9-24(25(16-23)39-3)22-17-31-32-18-22/h4-9,16-19H,10-15H2,1-3H3,(H,31,32)
InChIKeyWKJMTOQHAUHFAQ-UHFFFAOYSA-N
XLogP4.92
TPSA117.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(2-oxoimidazolidin-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585059
8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 148720825
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231280
4-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-3,5-dimethylbenzamide
CID 154630099
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585170
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-(2-oxo-1,5,7,8-tetrazabicyclo[4.2.0]octa-3,5-diene-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 167231569
8-(4-amino-2-chlorobenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142584992
8-[4-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585214
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585004
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[2-(1-methylpiperidine-4-carbonyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 175881434
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 161218164
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 119065485

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one (CID 142585175) is 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one is COc1cc(N2CCC3(CCN(C(=O)c4ccc(-c5noc(C(C)C)n5)cc4)CC3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WKJMTOQHAUHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-19(2)27-33-26(34-40-27)20-4-6-21(7-5-20)28(37)35-13-10-30(11-14-35)12-15-36(29(30)38)23-8-9-24(25(16-23)39-3)22-17-31-32-18-22/h4-9,16-19H,10-15H2,1-3H3,(H,31,32).
What are the key properties of 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one?
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 540.62 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 142585175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).