N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide

C148H173N40O16+ — CID 158956566

About N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide

N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide (PubChem CID 158956566) has the molecular formula C148H173N40O16+ and a molecular weight of 2768.28 g/mol. Its IUPAC name is N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide
• PubChem CID: 158956566
• Molecular Formula: C148H173N40O16+
• Molecular Weight: 2768.28 g/mol
• Exact Mass: 2766.39
• IUPAC Name: N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4c(OC)cccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OCC)ccc43)n2)c(OC)cc1N(C)CC[N+]1=CC=CC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OCCOC)ccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN1CCCC1
• InChI: InChI=1S/C31H38N8O4.C30H32N8O3.3C29H34N8O3/c1-5-30(40)34-24-19-25(28(42-4)20-27(24)37(2)14-15-38-12-6-7-13-38)35-31-32-11-10-29(36-31)39-26-9-8-23(43-17-16-41-3)18-22(26)21-33-39;1-5-29(39)33-23-18-24(27(40-4)19-26(23)36(3)15-16-37-13-7-8-14-37)34-30-31-12-11-28(35-30)38-25-10-9-22(41-6-2)17-21(25)20-32-38;1-5-28(38)32-22-17-23(26(40-4)18-25(22)35(2)14-15-36-12-6-7-13-36)33-29-30-11-10-27(34-29)37-24-9-8-21(39-3)16-20(24)19-31-37;1-5-28(38)32-22-17-23(26(40-4)18-25(22)35(2)14-15-36-12-6-7-13-36)33-29-30-11-10-27(34-29)37-24-16-21(39-3)9-8-20(24)19-31-37;1-5-28(38)32-21-17-22(26(40-4)18-24(21)35(2)15-16-36-13-6-7-14-36)33-29-30-12-11-27(34-29)37-23-9-8-10-25(39-3)20(23)19-31-37/h5,8-11,18-21H,1,6-7,12-17H2,2-4H3,(H,34,40)(H,32,35,36);5,7-13,17-20H,1,6,14-16H2,2-4H3,(H-,31,33,34,35,39);2*5,8-11,16-19H,1,6-7,12-15H2,2-4H3,(H,32,38)(H,30,33,34);5,8-12,17-19H,1,6-7,13-16H2,2-4H3,(H,32,38)(H,30,33,34)/p+1
• InChIKey: NXIMFDDNJYOBLZ-UHFFFAOYSA-O
• XLogP: 21.13
• TPSA: 557.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 50
• Rotatable Bonds: 59
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2768.28
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide (CID 158956566) is N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4c(OC)cccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OC)ccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OCC)ccc43)n2)c(OC)cc1N(C)CC[N+]1=CC=CC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4cc(OCCOC)ccc43)n2)c(OC)cc1N(C)CCN1CCCC1.C=CC(=O)Nc1cc(Nc2nccc(-n3ncc4ccc(OC)cc43)n2)c(OC)cc1N(C)CCN1CCCC1.

What is the InChIKey of N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?

The InChIKey is NXIMFDDNJYOBLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H38N8O4.C30H32N8O3.3C29H34N8O3/c1-5-30(40)34-24-19-25(28(42-4)20-27(24)37(2)14-15-38-12-6-7-13-38)35-31-32-11-10-29(36-31)39-26-9-8-23(43-17-16-41-3)18-22(26)21-33-39;1-5-29(39)33-23-18-24(27(40-4)19-26(23)36(3)15-16-37-13-7-8-14-37)34-30-31-12-11-28(35-30)38-25-10-9-22(41-6-2)17-21(25)20-32-38;1-5-28(38)32-22-17-23(26(40-4)18-25(22)35(2)14-15-36-12-6-7-13-36)33-29-30-11-10-27(34-29)37-24-9-8-21(39-3)16-20(24)19-31-37;1-5-28(38)32-22-17-23(26(40-4)18-25(22)35(2)14-15-36-12-6-7-13-36)33-29-30-11-10-27(34-29)37-24-16-21(39-3)9-8-20(24)19-31-37;1-5-28(38)32-21-17-22(26(40-4)18-24(21)35(2)15-16-36-13-6-7-14-36)33-29-30-12-11-27(34-29)37-23-9-8-10-25(39-3)20(23)19-31-37/h5,8-11,18-21H,1,6-7,12-17H2,2-4H3,(H,34,40)(H,32,35,36);5,7-13,17-20H,1,6,14-16H2,2-4H3,(H-,31,33,34,35,39);2*5,8-11,16-19H,1,6-7,12-15H2,2-4H3,(H,32,38)(H,30,33,34);5,8-12,17-19H,1,6-7,13-16H2,2-4H3,(H,32,38)(H,30,33,34)/p+1.

What are the key properties of N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide?

N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide has a molecular weight of 2768.28 g/mol, XLogP of 21.13, 59 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-(5-ethoxyindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-(2H-pyrrol-1-ium-1-yl)ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-[5-(2-methoxyethoxy)indazol-1-yl]pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(5-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[4-(6-methoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158956566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).