[7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)

C108H134F6N16O18 — CID 163591413

About [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)

[7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid) (PubChem CID 163591413) has the molecular formula C108H134F6N16O18 and a molecular weight of 2058.34 g/mol. Its IUPAC name is [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 163591413
• Molecular Formula: C108H134F6N16O18
• Molecular Weight: 2058.34 g/mol
• Exact Mass: 2057.00
• IUPAC Name: [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
• SMILES: C=CCC1(C(=O)OCn2cc3cc(C[C@@H](NC(=O)N4CCC(c5cc6ccccc6n(COC(=O)C6(CC=C)CC6)c5=O)CC4)C(=O)N4CCN(C5CCN(C)CC5)CC4)cc(C)c3n2)CC1.C=CCC1(C(=O)OCn2ncc3cc(C[C@@H](NC(=O)N4CCC(c5cc6ccccc6n(COC(=O)C6(CC=C)CC6)c5=O)CC4)C(=O)N4CCN(C5CCN(C)CC5)CC4)cc(C)c32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C52H66N8O7.2C2HF3O2/c1-5-15-51(17-18-51)48(63)66-34-59-33-40-30-37(29-36(3)45(40)54-59)31-43(47(62)57-27-25-56(26-28-57)41-13-21-55(4)22-14-41)53-50(65)58-23-11-38(12-24-58)42-32-39-9-7-8-10-44(39)60(46(42)61)35-67-49(64)52(16-6-2)19-20-52;1-5-15-51(17-18-51)48(63)66-34-59-44-10-8-7-9-39(44)32-42(46(59)61)38-11-23-58(24-12-38)50(65)54-43(47(62)57-27-25-56(26-28-57)41-13-21-55(4)22-14-41)31-37-29-36(3)45-40(30-37)33-53-60(45)35-67-49(64)52(16-6-2)19-20-52;2*3-2(4,5)1(6)7/h5-10,29-30,32-33,38,41,43H,1-2,11-28,31,34-35H2,3-4H3,(H,53,65);5-10,29-30,32-33,38,41,43H,1-2,11-28,31,34-35H2,3-4H3,(H,54,65);2*(H,6,7)/t2*43-;;/m11../s1
• InChIKey: HXWOPQUZYGPINN-PIXLACQFSA-N
• XLogP: 13.49
• TPSA: 377.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.34
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid) (CID 163591413) is [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid) is C=CCC1(C(=O)OCn2cc3cc(C[C@@H](NC(=O)N4CCC(c5cc6ccccc6n(COC(=O)C6(CC=C)CC6)c5=O)CC4)C(=O)N4CCN(C5CCN(C)CC5)CC4)cc(C)c3n2)CC1.C=CCC1(C(=O)OCn2ncc3cc(C[C@@H](NC(=O)N4CCC(c5cc6ccccc6n(COC(=O)C6(CC=C)CC6)c5=O)CC4)C(=O)N4CCN(C5CCN(C)CC5)CC4)cc(C)c32)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HXWOPQUZYGPINN-PIXLACQFSA-N. The full InChI is InChI=1S/2C52H66N8O7.2C2HF3O2/c1-5-15-51(17-18-51)48(63)66-34-59-33-40-30-37(29-36(3)45(40)54-59)31-43(47(62)57-27-25-56(26-28-57)41-13-21-55(4)22-14-41)53-50(65)58-23-11-38(12-24-58)42-32-39-9-7-8-10-44(39)60(46(42)61)35-67-49(64)52(16-6-2)19-20-52;1-5-15-51(17-18-51)48(63)66-34-59-44-10-8-7-9-39(44)32-42(46(59)61)38-11-23-58(24-12-38)50(65)54-43(47(62)57-27-25-56(26-28-57)41-13-21-55(4)22-14-41)31-37-29-36(3)45-40(30-37)33-53-60(45)35-67-49(64)52(16-6-2)19-20-52;2*3-2(4,5)1(6)7/h5-10,29-30,32-33,38,41,43H,1-2,11-28,31,34-35H2,3-4H3,(H,53,65);5-10,29-30,32-33,38,41,43H,1-2,11-28,31,34-35H2,3-4H3,(H,54,65);2*(H,6,7)/t2*43-;;/m11../s1.

What are the key properties of [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid)?

[7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2058.34 g/mol, XLogP of 13.49, 32 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [7-methyl-5-[(2R)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxo-2-[[4-[2-oxo-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]quinolin-3-yl]piperidine-1-carbonyl]amino]propyl]indazol-2-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;[3-[1-[[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[7-methyl-1-[(1-prop-2-enylcyclopropanecarbonyl)oxymethyl]indazol-5-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl 1-prop-2-enylcyclopropane-1-carboxylate;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 163591413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).