N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H28N4O3S — CID 118281068

IUPACN-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC1(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)CCCC1
InChIInChI=1S/C23H28N4O3S/c1-4-23(11-5-6-12-23)27-22(28)18-13-24-21-20(18)26-19(14-25-21)16-7-9-17(10-8-16)31(29,30)15(2)3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyISTAYMLDFMSCPQ-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.26
Rot. Bonds6

About N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118281068) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118281068
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC1(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)CCCC1
InChIInChI=1S/C23H28N4O3S/c1-4-23(11-5-6-12-23)27-22(28)18-13-24-21-20(18)26-19(14-25-21)16-7-9-17(10-8-16)31(29,30)15(2)3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyISTAYMLDFMSCPQ-UHFFFAOYSA-N
XLogP4.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118281068) is N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCC1(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)CCCC1.
What is the InChIKey of N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ISTAYMLDFMSCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-23(11-5-6-12-23)27-22(28)18-13-24-21-20(18)26-19(14-25-21)16-7-9-17(10-8-16)31(29,30)15(2)3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25)(H,27,28).
What are the key properties of N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118281068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).