7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one

C24H24N4O2 — CID 161218164

IUPAC7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CN(c2ccc(-c4cn[nH]c4)cc2)C3=O)c1
InChIInChI=1S/C24H24N4O2/c1-17-3-2-4-19(13-17)22(29)27-11-9-24(10-12-27)16-28(23(24)30)21-7-5-18(6-8-21)20-14-25-26-15-20/h2-8,13-15H,9-12,16H2,1H3,(H,25,26)
InChIKeyUXDNGDRUZIKBDQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.65
Rot. Bonds3

About 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one

7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 161218164) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID161218164
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CN(c2ccc(-c4cn[nH]c4)cc2)C3=O)c1
InChIInChI=1S/C24H24N4O2/c1-17-3-2-4-19(13-17)22(29)27-11-9-24(10-12-27)16-28(23(24)30)21-7-5-18(6-8-21)20-14-25-26-15-20/h2-8,13-15H,9-12,16H2,1H3,(H,25,26)
InChIKeyUXDNGDRUZIKBDQ-UHFFFAOYSA-N
XLogP3.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 145438955
(5S)-7-[(3-methylphenyl)methyl]-2-(1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42474387
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
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
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653
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
1-[[3-[3-(dimethylamino)azetidine-1-carbonyl]phenyl]methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 139532240
7-(3-hydroxybenzoyl)-2-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 176914372
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one (CID 161218164) is 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one is Cc1cccc(C(=O)N2CCC3(CC2)CN(c2ccc(-c4cn[nH]c4)cc2)C3=O)c1.
What is the InChIKey of 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is UXDNGDRUZIKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-3-2-4-19(13-17)22(29)27-11-9-24(10-12-27)16-28(23(24)30)21-7-5-18(6-8-21)20-14-25-26-15-20/h2-8,13-15H,9-12,16H2,1H3,(H,25,26).
What are the key properties of 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one?
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 400.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 161218164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).