N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C71H68ClN13O9S3 — CID 158002666

IUPACN-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccn4)c3n2)cc1.Cc1cccc(Cl)c1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C25H24N4O3S.C24H23ClN4O3S.C22H21N5O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21;1-14(2)33(31,32)17-9-7-16(8-10-17)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-18-15(3)5-4-6-20(18)25;1-14(2)31(29,30)17-8-6-15(7-9-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-16-5-3-4-10-23-16/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyFDXNUFOIBJXRHO-UHFFFAOYSA-N
MW1379.06 g/mol
LogP12.06
Rot. Bonds17

About N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158002666) has the molecular formula C71H68ClN13O9S3 and a molecular weight of 1379.06 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158002666
Molecular FormulaC71H68ClN13O9S3
Molecular Weight1379.06 g/mol
Exact Mass1377.41
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccn4)c3n2)cc1.Cc1cccc(Cl)c1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/C25H24N4O3S.C24H23ClN4O3S.C22H21N5O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21;1-14(2)33(31,32)17-9-7-16(8-10-17)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-18-15(3)5-4-6-20(18)25;1-14(2)31(29,30)17-8-6-15(7-9-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-16-5-3-4-10-23-16/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyFDXNUFOIBJXRHO-UHFFFAOYSA-N
XLogP12.06
TPSA327.32 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001379.06
LogP ≤ 512.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143558
4-chloro-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143616
7-chloro-2-[2-(4-piperidin-3-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143629
7-chloro-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143670
N-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71207980
N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208053
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208074
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208137
N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208215
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208594
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-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158002666) is N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccn4)c3n2)cc1.Cc1cccc(Cl)c1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FDXNUFOIBJXRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S.C24H23ClN4O3S.C22H21N5O3S/c1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21;1-14(2)33(31,32)17-9-7-16(8-10-17)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-18-15(3)5-4-6-20(18)25;1-14(2)31(29,30)17-8-6-15(7-9-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-16-5-3-4-10-23-16/h3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1379.06 g/mol, XLogP of 12.06, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158002666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).