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

C71H73FN20O4S — CID 157181491

IUPAC4-[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
SMILESCc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)NCCN3CCCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H29N7O.C24H24FN7O.C21H20N6O2S/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;25-17-13-15(7-8-16(17)24(33)27-9-12-32-10-3-4-11-32)20-14-28-22(26)21(29-20)23-30-18-5-1-2-6-19(18)31-23;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/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);1-2,5-8,13-14H,3-4,9-12H2,(H2,26,28)(H,27,33)(H,30,31);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26)
InChIKeyAOPSJGWVWLFDNW-UHFFFAOYSA-N
MW1321.57 g/mol
LogP10.03
Rot. Bonds14

About 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

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 (PubChem CID 157181491) has the molecular formula C71H73FN20O4S and a molecular weight of 1321.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157181491
Molecular FormulaC71H73FN20O4S
Molecular Weight1321.57 g/mol
Exact Mass1320.58
IUPAC Name4-[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
SMILESCc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)NCCN3CCCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H29N7O.C24H24FN7O.C21H20N6O2S/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;25-17-13-15(7-8-16(17)24(33)27-9-12-32-10-3-4-11-32)20-14-28-22(26)21(29-20)23-30-18-5-1-2-6-19(18)31-23;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/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);1-2,5-8,13-14H,3-4,9-12H2,(H2,26,28)(H,27,33)(H,30,31);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26)
InChIKeyAOPSJGWVWLFDNW-UHFFFAOYSA-N
XLogP10.03
TPSA334.71 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001321.57
LogP ≤ 510.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 157116976
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 157294126
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-5-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 157737440
2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158669955
[4-[5-amino-6-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 159034747
2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160473464
CID 160490469
CID 160490469
4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide
CID 161340522
N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylbenzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-phenylmethanesulfonamide
CID 161435994
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
CID 161584479
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;methane
CID 161621705

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)NCCN3CCCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 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?
The InChIKey is AOPSJGWVWLFDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O.C24H24FN7O.C21H20N6O2S/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;25-17-13-15(7-8-16(17)24(33)27-9-12-32-10-3-4-11-32)20-14-28-22(26)21(29-20)23-30-18-5-1-2-6-19(18)31-23;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/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);1-2,5-8,13-14H,3-4,9-12H2,(H2,26,28)(H,27,33)(H,30,31);1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 1321.57 g/mol, XLogP of 10.03, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157181491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).