N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

C73H87ClFN13O10S3 — CID 159300800

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-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)NCC4CCC(CN)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(Cl)c4F)c3n2)cc1.Cc1ccc([C@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N4O4S.C24H31N5O3S.C23H20ClFN4O3S.4H2/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18;1-15(2)33(31,32)19-9-7-18(8-10-19)21-14-27-23-22(29-21)20(13-26-23)24(30)28-12-17-5-3-16(11-25)4-6-17;1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25;;;;/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32);7-10,13-17H,3-6,11-12,25H2,1-2H3,(H,26,27)(H,28,30);3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30);4*1H/t22-;;;;;;/m0....../s1
InChIKeyLBHQDYROKSIOKW-JMCKARTDSA-N
MW1457.23 g/mol
LogP12.78
Rot. Bonds21

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

N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (PubChem CID 159300800) has the molecular formula C73H87ClFN13O10S3 and a molecular weight of 1457.23 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
PubChem CID159300800
Molecular FormulaC73H87ClFN13O10S3
Molecular Weight1457.23 g/mol
Exact Mass1455.55
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-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)NCC4CCC(CN)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(Cl)c4F)c3n2)cc1.Cc1ccc([C@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N4O4S.C24H31N5O3S.C23H20ClFN4O3S.4H2/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18;1-15(2)33(31,32)19-9-7-18(8-10-19)21-14-27-23-22(29-21)20(13-26-23)24(30)28-12-17-5-3-16(11-25)4-6-17;1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25;;;;/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32);7-10,13-17H,3-6,11-12,25H2,1-2H3,(H,26,27)(H,28,30);3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30);4*1H/t22-;;;;;;/m0....../s1
InChIKeyLBHQDYROKSIOKW-JMCKARTDSA-N
XLogP12.78
TPSA360.68 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001457.23
LogP ≤ 512.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

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

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208323
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208467
N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208570
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208662
N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208771
N-[3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71217146
N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide
CID 90017673
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118281325
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
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
N-(cyclobutylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(cyclopentylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypyrrolidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157516447

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (CID 159300800) is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-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)NCC4CCC(CN)CC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccc(Cl)c4F)c3n2)cc1.Cc1ccc([C@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
The InChIKey is LBHQDYROKSIOKW-JMCKARTDSA-N. The full InChI is InChI=1S/C26H28N4O4S.C24H31N5O3S.C23H20ClFN4O3S.4H2/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18;1-15(2)33(31,32)19-9-7-18(8-10-19)21-14-27-23-22(29-21)20(13-26-23)24(30)28-12-17-5-3-16(11-25)4-6-17;1-13(2)33(31,32)16-8-6-14(7-9-16)19-12-27-22-21(29-19)17(11-26-22)23(30)28-10-15-4-3-5-18(24)20(15)25;;;;/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32);7-10,13-17H,3-6,11-12,25H2,1-2H3,(H,26,27)(H,28,30);3-9,11-13H,10H2,1-2H3,(H,26,27)(H,28,30);4*1H/t22-;;;;;;/m0....../s1.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen has a molecular weight of 1457.23 g/mol, XLogP of 12.78, 21 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 159300800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).