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

C23H24N8O4 — CID 167231569

IUPAC2-[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
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cc(=O)n5[nH][nH]c5n4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H24N8O4/c1-35-18-10-15(2-3-16(18)14-12-24-25-13-14)30-9-6-23(21(30)34)4-7-29(8-5-23)20(33)17-11-19(32)31-22(26-17)27-28-31/h2-3,10-13,28H,4-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyKFKAWYRIXGEHON-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.41
Rot. Bonds4

About 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

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 (PubChem CID 167231569) has the molecular formula C23H24N8O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167231569
Molecular FormulaC23H24N8O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name2-[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
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cc(=O)n5[nH][nH]c5n4)CC3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H24N8O4/c1-35-18-10-15(2-3-16(18)14-12-24-25-13-14)30-9-6-23(21(30)34)4-7-29(8-5-23)20(33)17-11-19(32)31-22(26-17)27-28-31/h2-3,10-13,28H,4-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyKFKAWYRIXGEHON-UHFFFAOYSA-N
XLogP1.41
TPSA144.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

8-[4-(dimethylamino)benzoyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 148720825
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-[4-(2-oxoimidazolidin-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585059
8-(4-amino-2-chlorobenzoyl)-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142584992
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-(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-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585175
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-[2-(1-methylpiperidine-4-carbonyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 175881434
2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585153
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 167231589
7-(3-methylbenzoyl)-2-[4-(1H-pyrazol-4-yl)phenyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 161218164

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCC3(CCN(C(=O)c4cc(=O)n5[nH][nH]c5n4)CC3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 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?
The InChIKey is KFKAWYRIXGEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O4/c1-35-18-10-15(2-3-16(18)14-12-24-25-13-14)30-9-6-23(21(30)34)4-7-29(8-5-23)20(33)17-11-19(32)31-22(26-17)27-28-31/h2-3,10-13,28H,4-9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 476.50 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 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-(2-oxo-1,5,7,8-tetrazabicyclo[4.2.0]octa-3,5-diene-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 167231569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).