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

C21H24N4O4S — CID 71208178

IUPACN-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyOCNPWFZWPDNRPO-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.72
Rot. Bonds6

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

N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208178) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208178
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyOCNPWFZWPDNRPO-UHFFFAOYSA-N
XLogP2.72
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208178) is N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC4CCCO4)c3n2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OCNPWFZWPDNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-13(2)30(27,28)16-7-5-14(6-8-16)18-12-23-20-19(25-18)17(11-22-20)21(26)24-10-15-4-3-9-29-15/h5-8,11-13,15H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).