N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide

C20H19N5O3S — CID 90376943

IUPACN-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4=CN=CC4)c3n2)cc1
InChIInChI=1S/C20H19N5O3S/c1-12(2)29(27,28)15-5-3-13(4-6-15)16-10-22-19-18(24-16)17(11-23-19)25-20(26)14-7-8-21-9-14/h3-6,8-12H,7H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyDJRLMNWLCBVSMK-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide

N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide (PubChem CID 90376943) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide
PubChem CID90376943
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4=CN=CC4)c3n2)cc1
InChIInChI=1S/C20H19N5O3S/c1-12(2)29(27,28)15-5-3-13(4-6-15)16-10-22-19-18(24-16)17(11-23-19)25-20(26)14-7-8-21-9-14/h3-6,8-12H,7H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyDJRLMNWLCBVSMK-UHFFFAOYSA-N
XLogP3.10
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide?
The IUPAC name of N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide (CID 90376943) is N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4=CN=CC4)c3n2)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide?
The InChIKey is DJRLMNWLCBVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12(2)29(27,28)15-5-3-13(4-6-15)16-10-22-19-18(24-16)17(11-23-19)25-20(26)14-7-8-21-9-14/h3-6,8-12H,7H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide?
N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 90376943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).