3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride

C84H82Cl2F15N23O11 — CID 158580256

About 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride

3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride (PubChem CID 158580256) has the molecular formula C84H82Cl2F15N23O11 and a molecular weight of 1945.61 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride.

Molecular Properties

• Compound Name: 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride
• PubChem CID: 158580256
• Molecular Formula: C84H82Cl2F15N23O11
• Molecular Weight: 1945.61 g/mol
• Exact Mass: 1943.57
• IUPAC Name: 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride
• SMILES: CN(C)CCNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cl.Cl.NC(=O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CNC2CC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
• InChI: InChI=1S/C20H23N7.C19H18N6.C18H18N4O.C17H16N6.5C2HF3O2.2ClH/c1-27(2)9-8-21-12-14-4-3-5-15(10-14)19-17-11-16(20-22-13-23-26-20)6-7-18(17)24-25-19;1-2-12(10-20-15-5-6-15)8-13(3-1)18-16-9-14(19-21-11-22-25-19)4-7-17(16)23-24-18;19-18(23)13-4-7-16-15(9-13)17(22-21-16)12-3-1-2-11(8-12)10-20-14-5-6-14;1-18-9-11-3-2-4-12(7-11)16-14-8-13(17-19-10-20-23-17)5-6-15(14)21-22-16;5*3-2(4,5)1(6)7;;/h3-7,10-11,13,21H,8-9,12H2,1-2H3,(H,24,25)(H,22,23,26);1-4,7-9,11,15,20H,5-6,10H2,(H,23,24)(H,21,22,25);1-4,7-9,14,20H,5-6,10H2,(H2,19,23)(H,21,22);2-8,10,18H,9H2,1H3,(H,21,22)(H,19,20,23);5*(H,6,7);2*1H
• InChIKey: AJAVWZHENOGKPY-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 520.38 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.61
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride?

The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride (CID 158580256) is 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride.

What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride?

The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride is CN(C)CCNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cl.Cl.NC(=O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CNC2CC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.

What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride?

The InChIKey is AJAVWZHENOGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7.C19H18N6.C18H18N4O.C17H16N6.5C2HF3O2.2ClH/c1-27(2)9-8-21-12-14-4-3-5-15(10-14)19-17-11-16(20-22-13-23-26-20)6-7-18(17)24-25-19;1-2-12(10-20-15-5-6-15)8-13(3-1)18-16-9-14(19-21-11-22-25-19)4-7-17(16)23-24-18;19-18(23)13-4-7-16-15(9-13)17(22-21-16)12-3-1-2-11(8-12)10-20-14-5-6-14;1-18-9-11-3-2-4-12(7-11)16-14-8-13(17-19-10-20-23-17)5-6-15(14)21-22-16;5*3-2(4,5)1(6)7;;/h3-7,10-11,13,21H,8-9,12H2,1-2H3,(H,24,25)(H,22,23,26);1-4,7-9,11,15,20H,5-6,10H2,(H,23,24)(H,21,22,25);1-4,7-9,14,20H,5-6,10H2,(H2,19,23)(H,21,22);2-8,10,18H,9H2,1H3,(H,21,22)(H,19,20,23);5*(H,6,7);2*1H.

What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride?

3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride has a molecular weight of 1945.61 g/mol, XLogP of 15.26, 21 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;pentakis(2,2,2-trifluoroacetic acid);dihydrochloride is sourced from PubChem (CID 158580256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).