[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone

C73H73F4N21O4 — CID 159632316

IUPAC[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone
SMILESCOc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28FN7O2.C24H22F3N7O.C23H23N7O/c1-33(2)16-8-10-34(11-9-16)26(35)18-6-4-15(12-19(18)27)22-14-29-24(28)23(30-22)25-31-20-7-5-17(36-3)13-21(20)32-25;25-24(26,27)16-6-7-17-18(12-16)33-22(32-17)20-21(28)30-13-19(31-20)14-2-4-15(5-3-14)23(35)34-10-1-8-29-9-11-34;24-21-20(22-28-17-4-1-2-5-18(17)29-22)27-19(14-26-21)15-6-8-16(9-7-15)23(31)30-12-3-10-25-11-13-30/h4-7,12-14,16H,8-11H2,1-3H3,(H2,28,29)(H,31,32);2-7,12-13,29H,1,8-11H2,(H2,28,30)(H,32,33);1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H,28,29)
InChIKeyMPGZJSCOYWWBCS-UHFFFAOYSA-N
MW1384.52 g/mol
LogP10.01
Rot. Bonds11

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone (PubChem CID 159632316) has the molecular formula C73H73F4N21O4 and a molecular weight of 1384.52 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone
PubChem CID159632316
Molecular FormulaC73H73F4N21O4
Molecular Weight1384.52 g/mol
Exact Mass1383.61
IUPAC Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone
SMILESCOc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28FN7O2.C24H22F3N7O.C23H23N7O/c1-33(2)16-8-10-34(11-9-16)26(35)18-6-4-15(12-19(18)27)22-14-29-24(28)23(30-22)25-31-20-7-5-17(36-3)13-21(20)32-25;25-24(26,27)16-6-7-17-18(12-16)33-22(32-17)20-21(28)30-13-19(31-20)14-2-4-15(5-3-14)23(35)34-10-1-8-29-9-11-34;24-21-20(22-28-17-4-1-2-5-18(17)29-22)27-19(14-26-21)15-6-8-16(9-7-15)23(31)30-12-3-10-25-11-13-30/h4-7,12-14,16H,8-11H2,1-3H3,(H2,28,29)(H,31,32);2-7,12-13,29H,1,8-11H2,(H2,28,30)(H,32,33);1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H,28,29)
InChIKeyMPGZJSCOYWWBCS-UHFFFAOYSA-N
XLogP10.01
TPSA338.90 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001384.52
LogP ≤ 510.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 154700394
[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 156202308
[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
CID 154700388
[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 154700400
(2-(5-(4-fluorophenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)pyrrolidin-1-yl)(phenyl)methanone
CID 45272819
[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 21037109
N-[[6-(methylcarbamoyl)-4-(4-methyl-1,4-diazepan-1-yl)-10-(trifluoromethyl)benzimidazolo[1,2-a][1,8]naphthyridin-3-yl]methyl]-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide
CID 134364693
[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]-1H-benzimidazol-5-yl]-phenylmethanone
CID 135787033
5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
CID 155180876
2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;3-(trifluoromethyl)-N-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]aniline
CID 157342048
N-methylcarbamoyl chloride;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-2,5-dimethyl-4-(methylcarbamoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 157409727
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone (CID 159632316) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone is COc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)[nH]c2c1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone?
The InChIKey is MPGZJSCOYWWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2.C24H22F3N7O.C23H23N7O/c1-33(2)16-8-10-34(11-9-16)26(35)18-6-4-15(12-19(18)27)22-14-29-24(28)23(30-22)25-31-20-7-5-17(36-3)13-21(20)32-25;25-24(26,27)16-6-7-17-18(12-16)33-22(32-17)20-21(28)30-13-19(31-20)14-2-4-15(5-3-14)23(35)34-10-1-8-29-9-11-34;24-21-20(22-28-17-4-1-2-5-18(17)29-22)27-19(14-26-21)15-6-8-16(9-7-15)23(31)30-12-3-10-25-11-13-30/h4-7,12-14,16H,8-11H2,1-3H3,(H2,28,29)(H,31,32);2-7,12-13,29H,1,8-11H2,(H2,28,30)(H,32,33);1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H,28,29).
What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone?
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone has a molecular weight of 1384.52 g/mol, XLogP of 10.01, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-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]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 159632316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).