N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide

C130H143F10N33O7S5 — CID 161435175

About N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 161435175) has the molecular formula C130H143F10N33O7S5 and a molecular weight of 2630.11 g/mol. Its IUPAC name is N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide
• PubChem CID: 161435175
• Molecular Formula: C130H143F10N33O7S5
• Molecular Weight: 2630.11 g/mol
• Exact Mass: 2628.03
• IUPAC Name: N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide
• SMILES: CN1CCN(c2ccc(C/N=C(\N)c3cc(Sc4cc(F)cc(F)c4)cnc3N)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C/N=C(\N)c3nc(Sc4cc(F)cc(F)c4)cnc3N)c(NC3CCOCC3)c2)CC1.N/C(=N\C(=O)Cc1ccc(N)cc1)c1cc(Sc2cc(F)cc(F)c2)cnc1N.[H]/N=C(\NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1cc(Sc2cc(F)cc(F)c2)cnc1N.[H]/N=C(\NC(=O)c1ccc(N2CCN(C)CC2)cc1NC1CCOCC1)c1cc(Sc2cc(F)cc(F)c2)c(=O)[nH]c1N
• InChI: InChI=1S/C29H33F2N7O3S.C29H35F2N7OS.C28H34F2N8OS.C24H24F2N6OS.C20H17F2N5OS/c1-37-6-8-38(9-7-37)20-2-3-22(24(15-20)34-19-4-10-41-11-5-19)28(39)35-26(32)23-16-25(29(40)36-27(23)33)42-21-13-17(30)12-18(31)14-21;1-37-6-8-38(9-7-37)23-3-2-19(27(15-23)36-22-4-10-39-11-5-22)17-34-28(32)26-16-25(18-35-29(26)33)40-24-13-20(30)12-21(31)14-24;1-37-6-8-38(9-7-37)22-3-2-18(24(15-22)35-21-4-10-39-11-5-21)16-33-27(31)26-28(32)34-17-25(36-26)40-23-13-19(29)12-20(30)14-23;1-31-6-8-32(9-7-31)18-4-2-15(3-5-18)24(33)30-23(28)21-13-20(14-29-22(21)27)34-19-11-16(25)10-17(26)12-19;21-12-6-13(22)8-15(7-12)29-16-9-17(19(24)26-10-16)20(25)27-18(28)5-11-1-3-14(23)4-2-11/h2-3,12-16,19,34H,4-11H2,1H3,(H2,32,35,39)(H3,33,36,40);2-3,12-16,18,22,36H,4-11,17H2,1H3,(H2,32,34)(H2,33,35);2-3,12-15,17,21,35H,4-11,16H2,1H3,(H2,31,33)(H2,32,34);2-5,10-14H,6-9H2,1H3,(H2,27,29)(H2,28,30,33);1-4,6-10H,5,23H2,(H2,24,26)(H2,25,27,28)
• InChIKey: VYNXFXNWYKZNFQ-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 581.24 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.11
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide?

The IUPAC name of N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 161435175) is N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide.

What is the SMILES notation for N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide?

The canonical SMILES for N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C/N=C(\N)c3cc(Sc4cc(F)cc(F)c4)cnc3N)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C/N=C(\N)c3nc(Sc4cc(F)cc(F)c4)cnc3N)c(NC3CCOCC3)c2)CC1.N/C(=N\C(=O)Cc1ccc(N)cc1)c1cc(Sc2cc(F)cc(F)c2)cnc1N.[H]/N=C(\NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1cc(Sc2cc(F)cc(F)c2)cnc1N.[H]/N=C(\NC(=O)c1ccc(N2CCN(C)CC2)cc1NC1CCOCC1)c1cc(Sc2cc(F)cc(F)c2)c(=O)[nH]c1N.

What is the InChIKey of N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide?

The InChIKey is VYNXFXNWYKZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O3S.C29H35F2N7OS.C28H34F2N8OS.C24H24F2N6OS.C20H17F2N5OS/c1-37-6-8-38(9-7-37)20-2-3-22(24(15-20)34-19-4-10-41-11-5-19)28(39)35-26(32)23-16-25(29(40)36-27(23)33)42-21-13-17(30)12-18(31)14-21;1-37-6-8-38(9-7-37)23-3-2-19(27(15-23)36-22-4-10-39-11-5-22)17-34-28(32)26-16-25(18-35-29(26)33)40-24-13-20(30)12-21(31)14-24;1-37-6-8-38(9-7-37)22-3-2-18(24(15-22)35-21-4-10-39-11-5-21)16-33-27(31)26-28(32)34-17-25(36-26)40-23-13-19(29)12-20(30)14-23;1-31-6-8-32(9-7-31)18-4-2-15(3-5-18)24(33)30-23(28)21-13-20(14-29-22(21)27)34-19-11-16(25)10-17(26)12-19;21-12-6-13(22)8-15(7-12)29-16-9-17(19(24)26-10-16)20(25)27-18(28)5-11-1-3-14(23)4-2-11/h2-3,12-16,19,34H,4-11H2,1H3,(H2,32,35,39)(H3,33,36,40);2-3,12-16,18,22,36H,4-11,17H2,1H3,(H2,32,34)(H2,33,35);2-3,12-15,17,21,35H,4-11,16H2,1H3,(H2,31,33)(H2,32,34);2-5,10-14H,6-9H2,1H3,(H2,27,29)(H2,28,30,33);1-4,6-10H,5,23H2,(H2,24,26)(H2,25,27,28).

What are the key properties of N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide?

N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 2630.11 g/mol, XLogP of 18.31, 33 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[amino-[2-amino-5-(3,5-difluorophenyl)sulfanyl-3-pyridinyl]methylidene]-2-(4-aminophenyl)acetamide;3-amino-6-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyrazine-2-carboximidamide;2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-[[4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)phenyl]methyl]pyridine-3-carboximidamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanyl-6-oxo-1H-pyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[2-amino-5-(3,5-difluorophenyl)sulfanylpyridine-3-carboximidoyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 161435175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).