N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C69H76N12O10S3 — CID 158890943

IUPACN-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-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)NC(c4ccccc4)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)CO)c3n2)cc1.CCC(CC)NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H]
InChIInChI=1S/C29H26N4O3S.C21H26N4O3S.C19H22N4O4S.H2/c1-19(2)37(35,36)23-15-13-20(14-16-23)25-18-31-28-27(32-25)24(17-30-28)29(34)33-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-5-15(6-2)24-21(26)17-11-22-20-19(17)25-18(12-23-20)14-7-9-16(10-8-14)29(27,28)13(3)4;1-11(2)28(26,27)14-6-4-13(5-7-14)16-9-21-18-17(23-16)15(8-20-18)19(25)22-12(3)10-24;/h3-19,26H,1-2H3,(H,30,31)(H,33,34);7-13,15H,5-6H2,1-4H3,(H,22,23)(H,24,26);4-9,11-12,24H,10H2,1-3H3,(H,20,21)(H,22,25);1H/t;;12-;/m..0./s1
InChIKeyJEFNYJMEFNUVLV-XADMQAQGSA-N
MW1329.64 g/mol
LogP11.22
Rot. Bonds20

About N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158890943) has the molecular formula C69H76N12O10S3 and a molecular weight of 1329.64 g/mol. Its IUPAC name is N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158890943
Molecular FormulaC69H76N12O10S3
Molecular Weight1329.64 g/mol
Exact Mass1328.50
IUPAC NameN-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-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)NC(c4ccccc4)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)CO)c3n2)cc1.CCC(CC)NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H]
InChIInChI=1S/C29H26N4O3S.C21H26N4O3S.C19H22N4O4S.H2/c1-19(2)37(35,36)23-15-13-20(14-16-23)25-18-31-28-27(32-25)24(17-30-28)29(34)33-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-5-15(6-2)24-21(26)17-11-22-20-19(17)25-18(12-23-20)14-7-9-16(10-8-14)29(27,28)13(3)4;1-11(2)28(26,27)14-6-4-13(5-7-14)16-9-21-18-17(23-16)15(8-20-18)19(25)22-12(3)10-24;/h3-19,26H,1-2H3,(H,30,31)(H,33,34);7-13,15H,5-6H2,1-4H3,(H,22,23)(H,24,26);4-9,11-12,24H,10H2,1-3H3,(H,20,21)(H,22,25);1H/t;;12-;/m..0./s1
InChIKeyJEFNYJMEFNUVLV-XADMQAQGSA-N
XLogP11.22
TPSA334.66 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001329.64
LogP ≤ 511.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208138
N-[(1S)-1-(2-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208195
N-(4-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208209
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208349
N-(3-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208353
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208467
N-[(3-fluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208538
3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 160504679
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
N-[1-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71477929
2-[2-(4-piperidin-3-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 71143551
N-benzyl-2-(4-(isopropylsulfonyl)phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71143763

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158890943) is N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-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)NC(c4ccccc4)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](C)CO)c3n2)cc1.CCC(CC)NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].
What is the InChIKey of N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JEFNYJMEFNUVLV-XADMQAQGSA-N. The full InChI is InChI=1S/C29H26N4O3S.C21H26N4O3S.C19H22N4O4S.H2/c1-19(2)37(35,36)23-15-13-20(14-16-23)25-18-31-28-27(32-25)24(17-30-28)29(34)33-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-5-15(6-2)24-21(26)17-11-22-20-19(17)25-18(12-23-20)14-7-9-16(10-8-14)29(27,28)13(3)4;1-11(2)28(26,27)14-6-4-13(5-7-14)16-9-21-18-17(23-16)15(8-20-18)19(25)22-12(3)10-24;/h3-19,26H,1-2H3,(H,30,31)(H,33,34);7-13,15H,5-6H2,1-4H3,(H,22,23)(H,24,26);4-9,11-12,24H,10H2,1-3H3,(H,20,21)(H,22,25);1H/t;;12-;/m..0./s1.
What are the key properties of N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1329.64 g/mol, XLogP of 11.22, 20 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2S)-1-hydroxypropan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-pentan-3-yl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158890943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).