3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide

C120H128F4N32O11 — CID 173100721

IUPAC3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1.Cc1ccc(C(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cn1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccnc3)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C25H25F3N6O2.C25H28N6O3.C24H25FN6O2.2C23H25N7O2/c26-25(27,28)17-6-1-4-15(10-17)11-21(35)32-18-7-2-5-16(12-18)20-14-31-23(29)22(34-20)24(36)33-19-8-3-9-30-13-19;1-34-20-9-7-16(8-10-20)12-22(32)29-18-5-2-4-17(13-18)21-15-28-24(26)23(31-21)25(33)30-19-6-3-11-27-14-19;25-17-6-1-4-15(10-17)11-21(32)29-18-7-2-5-16(12-18)20-14-28-23(26)22(31-20)24(33)30-19-8-3-9-27-13-19;1-14-7-8-16(11-26-14)22(31)28-17-5-2-4-15(10-17)19-13-27-21(24)20(30-19)23(32)29-18-6-3-9-25-12-18;24-22-21(23(32)29-18-7-3-9-26-13-18)30-19(14-27-22)16-5-1-6-17(11-16)28-20(31)10-15-4-2-8-25-12-15/h1-2,4-7,10,12,14,19,30H,3,8-9,11,13H2,(H2,29,31)(H,32,35)(H,33,36);2,4-5,7-10,13,15,19,27H,3,6,11-12,14H2,1H3,(H2,26,28)(H,29,32)(H,30,33);1-2,4-7,10,12,14,19,27H,3,8-9,11,13H2,(H2,26,28)(H,29,32)(H,30,33);2,4-5,7-8,10-11,13,18,25H,3,6,9,12H2,1H3,(H2,24,27)(H,28,31)(H,29,32);1-2,4-6,8,11-12,14,18,26H,3,7,9-10,13H2,(H2,24,27)(H,28,31)(H,29,32)/t3*19-;2*18-/m00000/s1
InChIKeyMGHWRTSKOARFTF-BLJLAWDBSA-N
MW2270.55 g/mol
LogP12.28
Rot. Bonds30

About 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide

3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide (PubChem CID 173100721) has the molecular formula C120H128F4N32O11 and a molecular weight of 2270.55 g/mol. Its IUPAC name is 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide
PubChem CID173100721
Molecular FormulaC120H128F4N32O11
Molecular Weight2270.55 g/mol
Exact Mass2269.04
IUPAC Name3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1.Cc1ccc(C(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cn1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccnc3)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C25H25F3N6O2.C25H28N6O3.C24H25FN6O2.2C23H25N7O2/c26-25(27,28)17-6-1-4-15(10-17)11-21(35)32-18-7-2-5-16(12-18)20-14-31-23(29)22(34-20)24(36)33-19-8-3-9-30-13-19;1-34-20-9-7-16(8-10-20)12-22(32)29-18-5-2-4-17(13-18)21-15-28-24(26)23(31-21)25(33)30-19-6-3-11-27-14-19;25-17-6-1-4-15(10-17)11-21(32)29-18-7-2-5-16(12-18)20-14-28-23(26)22(31-20)24(33)30-19-8-3-9-27-13-19;1-14-7-8-16(11-26-14)22(31)28-17-5-2-4-15(10-17)19-13-27-21(24)20(30-19)23(32)29-18-6-3-9-25-12-18;24-22-21(23(32)29-18-7-3-9-26-13-18)30-19(14-27-22)16-5-1-6-17(11-16)28-20(31)10-15-4-2-8-25-12-15/h1-2,4-7,10,12,14,19,30H,3,8-9,11,13H2,(H2,29,31)(H,32,35)(H,33,36);2,4-5,7-10,13,15,19,27H,3,6,11-12,14H2,1H3,(H2,26,28)(H,29,32)(H,30,33);1-2,4-7,10,12,14,19,27H,3,8-9,11,13H2,(H2,26,28)(H,29,32)(H,30,33);2,4-5,7-8,10-11,13,18,25H,3,6,9,12H2,1H3,(H2,24,27)(H,28,31)(H,29,32);1-2,4-6,8,11-12,14,18,26H,3,7,9-10,13H2,(H2,24,27)(H,28,31)(H,29,32)/t3*19-;2*18-/m00000/s1
InChIKeyMGHWRTSKOARFTF-BLJLAWDBSA-N
XLogP12.28
TPSA645.16 Ų
H-Bond Donors20
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002270.55
LogP ≤ 512.28
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1033

Analyze 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide (CID 173100721) is 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide is COc1ccc(CC(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1.Cc1ccc(C(=O)Nc2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cn1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(NC(=O)Cc3cccnc3)c2)nc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is MGHWRTSKOARFTF-BLJLAWDBSA-N. The full InChI is InChI=1S/C25H25F3N6O2.C25H28N6O3.C24H25FN6O2.2C23H25N7O2/c26-25(27,28)17-6-1-4-15(10-17)11-21(35)32-18-7-2-5-16(12-18)20-14-31-23(29)22(34-20)24(36)33-19-8-3-9-30-13-19;1-34-20-9-7-16(8-10-20)12-22(32)29-18-5-2-4-17(13-18)21-15-28-24(26)23(31-21)25(33)30-19-6-3-11-27-14-19;25-17-6-1-4-15(10-17)11-21(32)29-18-7-2-5-16(12-18)20-14-28-23(26)22(31-20)24(33)30-19-8-3-9-27-13-19;1-14-7-8-16(11-26-14)22(31)28-17-5-2-4-15(10-17)19-13-27-21(24)20(30-19)23(32)29-18-6-3-9-25-12-18;24-22-21(23(32)29-18-7-3-9-26-13-18)30-19(14-27-22)16-5-1-6-17(11-16)28-20(31)10-15-4-2-8-25-12-15/h1-2,4-7,10,12,14,19,30H,3,8-9,11,13H2,(H2,29,31)(H,32,35)(H,33,36);2,4-5,7-10,13,15,19,27H,3,6,11-12,14H2,1H3,(H2,26,28)(H,29,32)(H,30,33);1-2,4-7,10,12,14,19,27H,3,8-9,11,13H2,(H2,26,28)(H,29,32)(H,30,33);2,4-5,7-8,10-11,13,18,25H,3,6,9,12H2,1H3,(H2,24,27)(H,28,31)(H,29,32);1-2,4-6,8,11-12,14,18,26H,3,7,9-10,13H2,(H2,24,27)(H,28,31)(H,29,32)/t3*19-;2*18-/m00000/s1.
What are the key properties of 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide?
3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 2270.55 g/mol, XLogP of 12.28, 30 rotatable bonds, 20 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 173100721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).