N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

C73H77FN12O12S3 — CID 159046932

IUPACN-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4ccc(F)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4cccc(O)c4)c3n2)cc1.Cc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H]
InChIInChI=1S/C25H25FN4O4S.C25H26N4O5S.C23H22N4O3S.2H2/c1-15(2)35(33,34)19-9-5-17(6-10-19)22-14-28-24-23(29-22)20(13-27-24)25(32)30-21(11-12-31)16-3-7-18(26)8-4-16;1-15(2)35(33,34)19-8-6-16(7-9-19)22-14-27-24-23(28-22)20(13-26-24)25(32)29-21(10-11-30)17-4-3-5-18(31)12-17;1-14(2)31(29,30)18-9-7-16(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-17-6-4-5-15(3)11-17;;/h3-10,13-15,21,31H,11-12H2,1-2H3,(H,27,28)(H,30,32);3-9,12-15,21,30-31H,10-11H2,1-2H3,(H,26,27)(H,29,32);4-14H,1-3H3,(H,24,25)(H,26,28);2*1H
InChIKeyJWTUIPCDBYETLT-UHFFFAOYSA-N
MW1429.69 g/mol
LogP12.03
Rot. Bonds21

About N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (PubChem CID 159046932) has the molecular formula C73H77FN12O12S3 and a molecular weight of 1429.69 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
PubChem CID159046932
Molecular FormulaC73H77FN12O12S3
Molecular Weight1429.69 g/mol
Exact Mass1428.49
IUPAC NameN-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4ccc(F)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4cccc(O)c4)c3n2)cc1.Cc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H]
InChIInChI=1S/C25H25FN4O4S.C25H26N4O5S.C23H22N4O3S.2H2/c1-15(2)35(33,34)19-9-5-17(6-10-19)22-14-28-24-23(29-22)20(13-27-24)25(32)30-21(11-12-31)16-3-7-18(26)8-4-16;1-15(2)35(33,34)19-8-6-16(7-9-19)22-14-27-24-23(28-22)20(13-26-24)25(32)29-21(10-11-30)17-4-3-5-18(31)12-17;1-14(2)31(29,30)18-9-7-16(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-17-6-4-5-15(3)11-17;;/h3-10,13-15,21,31H,11-12H2,1-2H3,(H,27,28)(H,30,32);3-9,12-15,21,30-31H,10-11H2,1-2H3,(H,26,27)(H,29,32);4-14H,1-3H3,(H,24,25)(H,26,28);2*1H
InChIKeyJWTUIPCDBYETLT-UHFFFAOYSA-N
XLogP12.03
TPSA375.12 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001429.69
LogP ≤ 512.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;5H-pyrrolo[2,3-b]pyrazin-4-ium
CID 158595224
N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208214
N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208217
N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208491
N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208819
N-[3-(hydroxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71217141
N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71217147
N-[(2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118606031
N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157071589
2-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5-tritylpyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 157072576
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-cyclobutyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157122643
N-[(1S)-1-(2-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157124741

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (CID 159046932) is N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4ccc(F)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CCO)c4cccc(O)c4)c3n2)cc1.Cc1cccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].
What is the InChIKey of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The InChIKey is JWTUIPCDBYETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4S.C25H26N4O5S.C23H22N4O3S.2H2/c1-15(2)35(33,34)19-9-5-17(6-10-19)22-14-28-24-23(29-22)20(13-27-24)25(32)30-21(11-12-31)16-3-7-18(26)8-4-16;1-15(2)35(33,34)19-8-6-16(7-9-19)22-14-27-24-23(28-22)20(13-26-24)25(32)29-21(10-11-30)17-4-3-5-18(31)12-17;1-14(2)31(29,30)18-9-7-16(8-10-18)20-13-25-22-21(27-20)19(12-24-22)23(28)26-17-6-4-5-15(3)11-17;;/h3-10,13-15,21,31H,11-12H2,1-2H3,(H,27,28)(H,30,32);3-9,12-15,21,30-31H,10-11H2,1-2H3,(H,26,27)(H,29,32);4-14H,1-3H3,(H,24,25)(H,26,28);2*1H.
What are the key properties of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen has a molecular weight of 1429.69 g/mol, XLogP of 12.03, 21 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-hydroxyphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 159046932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).