7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide

C22H25N5O5S — CID 89440706

IUPAC7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C4CC5(CC4C)OCCO5)cnc32)cc1
InChIInChI=1S/C22H25N5O5S/c1-14-3-5-16(6-4-14)33(29,30)27-8-7-18-20(27)23-13-19(24-18)25-26-21(28)17-12-22(11-15(17)2)31-9-10-32-22/h3-8,13,15,17H,9-12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyILPIZVVLIQIIOS-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.21
Rot. Bonds5

About 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide

7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide (PubChem CID 89440706) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide.

Molecular Properties

Compound Name7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide
PubChem CID89440706
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C4CC5(CC4C)OCCO5)cnc32)cc1
InChIInChI=1S/C22H25N5O5S/c1-14-3-5-16(6-4-14)33(29,30)27-8-7-18-20(27)23-13-19(24-18)25-26-21(28)17-12-22(11-15(17)2)31-9-10-32-22/h3-8,13,15,17H,9-12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyILPIZVVLIQIIOS-UHFFFAOYSA-N
XLogP2.21
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamate
CID 58009926
N-[(1S,3R,4S)-3-ethyl-4-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]cyclopropanesulfonamide
CID 69012439
ethyl N-[3-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]carbamate
CID 123820039
cis-(3R,4S)-3-methyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]cyclopentan-1-one
CID 89440560
N'-[5-(4-tert-butylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]adamantane-2-carbohydrazide
CID 118481206
[2,2-dimethyl-1-[4-[2-[2-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]hydrazinyl]-2-oxoethyl]cyclohexyl]propyl]carbamic acid
CID 67999519
tert-butyl N-[3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamate;tert-butyl N-[3-ethyl-4-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]carbamate
CID 161450966
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
CID 174659530
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate
CID 162025946
[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
CID 67216596
tert-butyl N-[(1S,3R)-3-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]carbamate;tert-butyl N-[(1S,3R)-3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]carbamate
CID 158454667

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide?
The IUPAC name of 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide (CID 89440706) is 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide.
What is the SMILES notation for 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide?
The canonical SMILES for 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide is Cc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C4CC5(CC4C)OCCO5)cnc32)cc1.
What is the InChIKey of 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide?
The InChIKey is ILPIZVVLIQIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-14-3-5-16(6-4-14)33(29,30)27-8-7-18-20(27)23-13-19(24-18)25-26-21(28)17-12-22(11-15(17)2)31-9-10-32-22/h3-8,13,15,17H,9-12H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide?
7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide has a molecular weight of 471.54 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-1,4-dioxaspiro[4.4]nonane-8-carbohydrazide is sourced from PubChem (CID 89440706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).