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

C27H31N5O3 — CID 148720825

IUPAC8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(N(C)C)cc4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C27H31N5O3/c1-30(2)21-6-4-19(5-7-21)25(33)31-13-10-27(11-14-31)12-15-32(26(27)34)22-8-9-23(24(16-22)35-3)20-17-28-29-18-20/h4-9,16-18H,10-15H2,1-3H3,(H,28,29)
InChIKeyNZAYCALDGSPEFP-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.81
Rot. Bonds5

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

8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 148720825) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID148720825
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc(N(C)C)cc4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C27H31N5O3/c1-30(2)21-6-4-19(5-7-21)25(33)31-13-10-27(11-14-31)12-15-32(26(27)34)22-8-9-23(24(16-22)35-3)20-17-28-29-18-20/h4-9,16-18H,10-15H2,1-3H3,(H,28,29)
InChIKeyNZAYCALDGSPEFP-UHFFFAOYSA-N
XLogP3.81
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
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
8-(4-amino-2-chlorobenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142584992
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-[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-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-(1-methylpiperidine-4-carbonyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 175881434
[(Z)-3-amino-2-[4-[8-[4-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]benzoyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]-2-methoxyphenyl]prop-2-enylidene]azanium
CID 142585046
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 161218164
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 148720825) is 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is COc1cc(N2CCC3(CCN(C(=O)c4ccc(N(C)C)cc4)CC3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NZAYCALDGSPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-30(2)21-6-4-19(5-7-21)25(33)31-13-10-27(11-14-31)12-15-32(26(27)34)22-8-9-23(24(16-22)35-3)20-17-28-29-18-20/h4-9,16-18H,10-15H2,1-3H3,(H,28,29).
What are the key properties of 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 473.58 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 148720825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).