2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide

C21H25N5O3S — CID 166968014

IUPAC2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide
SMILESCCC1CC(O)CC1C(=O)NNc1cnc2c(ccn2S(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5O3S/c1-3-14-10-15(27)11-17(14)21(28)25-24-19-12-22-20-18(23-19)8-9-26(20)30(29)16-6-4-13(2)5-7-16/h4-9,12,14-15,17,27H,3,10-11H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyCLPYWKHJRXNVEZ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.55
Rot. Bonds6

About 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide

2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide (PubChem CID 166968014) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide
PubChem CID166968014
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide
SMILESCCC1CC(O)CC1C(=O)NNc1cnc2c(ccn2S(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5O3S/c1-3-14-10-15(27)11-17(14)21(28)25-24-19-12-22-20-18(23-19)8-9-26(20)30(29)16-6-4-13(2)5-7-16/h4-9,12,14-15,17,27H,3,10-11H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyCLPYWKHJRXNVEZ-UHFFFAOYSA-N
XLogP2.55
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide?
The IUPAC name of 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide (CID 166968014) is 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide.
What is the SMILES notation for 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide?
The canonical SMILES for 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide is CCC1CC(O)CC1C(=O)NNc1cnc2c(ccn2S(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide?
The InChIKey is CLPYWKHJRXNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-14-10-15(27)11-17(14)21(28)25-24-19-12-22-20-18(23-19)8-9-26(20)30(29)16-6-4-13(2)5-7-16/h4-9,12,14-15,17,27H,3,10-11H2,1-2H3,(H,23,24)(H,25,28).
What are the key properties of 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide?
2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide has a molecular weight of 427.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide is sourced from PubChem (CID 166968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).