N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C59H66N12O12S3 — CID 158140564

IUPACN-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@H]4CCOC4)c3n2)cc1.COCCNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/2C20H22N4O4S.C19H22N4O4S/c1-13(2)29(26,27)15-5-3-14(4-6-15)17-12-22-19-18(23-17)16(11-21-19)20(25)24-7-9-28-10-8-24;1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14;1-12(2)28(25,26)14-6-4-13(5-7-14)16-11-22-18-17(23-16)15(10-21-18)19(24)20-8-9-27-3/h3-6,11-13H,7-10H2,1-2H3,(H,21,22);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25);4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,21,22)/t;14-;/m.0./s1
InChIKeyFTWQIZJDDDNBIO-XYKWTOECSA-N
MW1231.45 g/mol
LogP6.79
Rot. Bonds16

About N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158140564) has the molecular formula C59H66N12O12S3 and a molecular weight of 1231.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158140564
Molecular FormulaC59H66N12O12S3
Molecular Weight1231.45 g/mol
Exact Mass1230.41
IUPAC NameN-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@H]4CCOC4)c3n2)cc1.COCCNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
InChIInChI=1S/2C20H22N4O4S.C19H22N4O4S/c1-13(2)29(26,27)15-5-3-14(4-6-15)17-12-22-19-18(23-17)16(11-21-19)20(25)24-7-9-28-10-8-24;1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14;1-12(2)28(25,26)14-6-4-13(5-7-14)16-11-22-18-17(23-16)15(10-21-18)19(24)20-8-9-27-3/h3-6,11-13H,7-10H2,1-2H3,(H,21,22);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25);4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,21,22)/t;14-;/m.0./s1
InChIKeyFTWQIZJDDDNBIO-XYKWTOECSA-N
XLogP6.79
TPSA333.33 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.45
LogP ≤ 56.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 117609971
[3-[3-[7-[[(3S)-1-ethylsulfonylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2,5-dimethylpyrrol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 156119391
7-(2-ethylanilino)-2-(1H-imidazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 173154182
2-[7-(Benzenesulfonyl)-3-(1-benzylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-1-morpholin-4-ylethanone
CID 67343003
5-(2-morpholin-4-ylethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143614
N-benzyl-2-(4-(isopropylsulfonyl)phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71143763
N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71207952
N-(cyclohexylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71207960
(4-methylpiperazin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71207978
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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CID 71208057
piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 71208066

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158140564) is N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-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)N4CCOCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@H]4CCOC4)c3n2)cc1.COCCNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FTWQIZJDDDNBIO-XYKWTOECSA-N. The full InChI is InChI=1S/2C20H22N4O4S.C19H22N4O4S/c1-13(2)29(26,27)15-5-3-14(4-6-15)17-12-22-19-18(23-17)16(11-21-19)20(25)24-7-9-28-10-8-24;1-12(2)29(26,27)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-28-11-14;1-12(2)28(25,26)14-6-4-13(5-7-14)16-11-22-18-17(23-16)15(10-21-18)19(24)20-8-9-27-3/h3-6,11-13H,7-10H2,1-2H3,(H,21,22);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25);4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,21,22)/t;14-;/m.0./s1.
What are the key properties of N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1231.45 g/mol, XLogP of 6.79, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-[(3S)-oxolan-3-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158140564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).