[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine

C87H82FN25O7S — CID 158207112

IUPAC[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)NCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H25N7O.C22H19FN6O2.C21H20N6O2S.C20H18N6O2/c25-22-21(23-29-18-5-1-2-6-19(18)30-23)28-20(15-27-22)16-7-9-17(10-8-16)24(32)26-11-14-31-12-3-4-13-31;23-15-6-5-13(11-14(15)22(30)29-7-9-31-10-8-29)18-12-25-20(24)19(26-18)21-27-16-3-1-2-4-17(16)28-21;22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27;21-18-17(19-25-14-3-1-2-4-15(14)26-19)24-16(11-23-18)12-5-7-13(8-6-12)20(28)22-9-10-27/h1-2,5-10,15H,3-4,11-14H2,(H2,25,27)(H,26,32)(H,29,30);1-6,11-12H,7-10H2,(H2,24,25)(H,27,28);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26);1-8,11,27H,9-10H2,(H2,21,23)(H,22,28)(H,25,26)
InChIKeyGBQALBBLZPRUMI-UHFFFAOYSA-N
MW1640.85 g/mol
LogP11.02
Rot. Bonds18

About [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine

[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 158207112) has the molecular formula C87H82FN25O7S and a molecular weight of 1640.85 g/mol. Its IUPAC name is [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID158207112
Molecular FormulaC87H82FN25O7S
Molecular Weight1640.85 g/mol
Exact Mass1639.65
IUPAC Name[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)NCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H25N7O.C22H19FN6O2.C21H20N6O2S.C20H18N6O2/c25-22-21(23-29-18-5-1-2-6-19(18)30-23)28-20(15-27-22)16-7-9-17(10-8-16)24(32)26-11-14-31-12-3-4-13-31;23-15-6-5-13(11-14(15)22(30)29-7-9-31-10-8-29)18-12-25-20(24)19(26-18)21-27-16-3-1-2-4-17(16)28-21;22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27;21-18-17(19-25-14-3-1-2-4-15(14)26-19)24-16(11-23-18)12-5-7-13(8-6-12)20(28)22-9-10-27/h1-2,5-10,15H,3-4,11-14H2,(H2,25,27)(H,26,32)(H,29,30);1-6,11-12H,7-10H2,(H2,24,25)(H,27,28);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26);1-8,11,27H,9-10H2,(H2,21,23)(H,22,28)(H,25,26)
InChIKeyGBQALBBLZPRUMI-UHFFFAOYSA-N
XLogP11.02
TPSA470.51 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001640.85
LogP ≤ 511.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine with MolForge

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Related Compounds

5-[8-[4-(Benzenesulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157156202
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine
CID 157181491
2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 157212726
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen
CID 157469767
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(azetidin-3-yl)-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;N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157480457
N-cyclohexyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-cyclopentyl-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;N-[1-(4-fluorophenyl)cyclopropyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 157522905
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 157602567
5-[8-(4-Methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157752593
5-(1H-indol-4-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide
CID 157810936
5-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-phenylbenzamide
CID 157827861
N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 157877111
5-(1H-indol-5-yl)-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methylbenzaldehyde
CID 157998466

Frequently Asked Questions

What is the IUPAC name of [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine (CID 158207112) is [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine is Nc1ncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)NCCO)cc2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is GBQALBBLZPRUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O.C22H19FN6O2.C21H20N6O2S.C20H18N6O2/c25-22-21(23-29-18-5-1-2-6-19(18)30-23)28-20(15-27-22)16-7-9-17(10-8-16)24(32)26-11-14-31-12-3-4-13-31;23-15-6-5-13(11-14(15)22(30)29-7-9-31-10-8-29)18-12-25-20(24)19(26-18)21-27-16-3-1-2-4-17(16)28-21;22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27;21-18-17(19-25-14-3-1-2-4-15(14)26-19)24-16(11-23-18)12-5-7-13(8-6-12)20(28)22-9-10-27/h1-2,5-10,15H,3-4,11-14H2,(H2,25,27)(H,26,32)(H,29,30);1-6,11-12H,7-10H2,(H2,24,25)(H,27,28);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26);1-8,11,27H,9-10H2,(H2,21,23)(H,22,28)(H,25,26).
What are the key properties of [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine?
[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1640.85 g/mol, XLogP of 11.02, 18 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158207112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).