[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

C71H68F5N21O3 — CID 159034747

IUPAC[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
SMILESCc1cccc2[nH]c(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)nc12.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2c(F)cccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H28FN7O.C23H20F3N7O.C22H20FN7O/c1-15-5-4-6-20-22(15)32-25(31-20)23-24(28)29-14-21(30-23)16-7-8-18(19(27)13-16)26(35)34-11-9-17(10-12-34)33(2)3;24-23(25,26)15-5-6-16-17(11-15)32-21(31-16)19-20(27)29-12-18(30-19)13-1-3-14(4-2-13)22(34)33-9-7-28-8-10-33;23-15-2-1-3-16-18(15)29-21(28-16)19-20(24)26-12-17(27-19)13-4-6-14(7-5-13)22(31)30-10-8-25-9-11-30/h4-8,13-14,17H,9-12H2,1-3H3,(H2,28,29)(H,31,32);1-6,11-12,28H,7-10H2,(H2,27,29)(H,31,32);1-7,12,25H,8-11H2,(H2,24,26)(H,28,29)
InChIKeyJVIAJISZYHNQNP-UHFFFAOYSA-N
MW1358.46 g/mol
LogP9.67
Rot. Bonds10

About [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

[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 (PubChem CID 159034747) has the molecular formula C71H68F5N21O3 and a molecular weight of 1358.46 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159034747
Molecular FormulaC71H68F5N21O3
Molecular Weight1358.46 g/mol
Exact Mass1357.57
IUPAC Name[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
SMILESCc1cccc2[nH]c(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)nc12.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2c(F)cccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H28FN7O.C23H20F3N7O.C22H20FN7O/c1-15-5-4-6-20-22(15)32-25(31-20)23-24(28)29-14-21(30-23)16-7-8-18(19(27)13-16)26(35)34-11-9-17(10-12-34)33(2)3;24-23(25,26)15-5-6-16-17(11-15)32-21(31-16)19-20(27)29-12-18(30-19)13-1-3-14(4-2-13)22(34)33-9-7-28-8-10-33;23-15-2-1-3-16-18(15)29-21(28-16)19-20(24)26-12-17(27-19)13-4-6-14(7-5-13)22(31)30-10-8-25-9-11-30/h4-8,13-14,17H,9-12H2,1-3H3,(H2,28,29)(H,31,32);1-6,11-12,28H,7-10H2,(H2,27,29)(H,31,32);1-7,12,25H,8-11H2,(H2,24,26)(H,28,29)
InChIKeyJVIAJISZYHNQNP-UHFFFAOYSA-N
XLogP9.67
TPSA329.67 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001358.46
LogP ≤ 59.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71460802
4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 73331184
US11071730, Example 139
CID 146640065
US11071730, Example 193
CID 146640086
US11203591, Example 74
CID 146763317
US11203591, Example 56
CID 147470122
US11203591, Example 54
CID 148476915
US11203591, Example 60
CID 148482280
US11203591, Example 53
CID 152876274
US11203591, Example 87
CID 153203193
US11203591, Example 88
CID 153203194

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cccc2[nH]c(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)c(F)c4)cnc3N)nc12.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2c(F)cccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of [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?
The InChIKey is JVIAJISZYHNQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O.C23H20F3N7O.C22H20FN7O/c1-15-5-4-6-20-22(15)32-25(31-20)23-24(28)29-14-21(30-23)16-7-8-18(19(27)13-16)26(35)34-11-9-17(10-12-34)33(2)3;24-23(25,26)15-5-6-16-17(11-15)32-21(31-16)19-20(27)29-12-18(30-19)13-1-3-14(4-2-13)22(34)33-9-7-28-8-10-33;23-15-2-1-3-16-18(15)29-21(28-16)19-20(24)26-12-17(27-19)13-4-6-14(7-5-13)22(31)30-10-8-25-9-11-30/h4-8,13-14,17H,9-12H2,1-3H3,(H2,28,29)(H,31,32);1-6,11-12,28H,7-10H2,(H2,27,29)(H,31,32);1-7,12,25H,8-11H2,(H2,24,26)(H,28,29).
What are the key properties of [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?
[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 has a molecular weight of 1358.46 g/mol, XLogP of 9.67, 10 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159034747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).