N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

C119H147N33O8 — CID 157185480

About N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 157185480) has the molecular formula C119H147N33O8 and a molecular weight of 2167.71 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 157185480
• Molecular Formula: C119H147N33O8
• Molecular Weight: 2167.71 g/mol
• Exact Mass: 2166.21
• IUPAC Name: N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cccnc4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4ccn(C)c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cnc5c(ccn5C)c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(N4CCCCC4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1
• InChI: InChI=1S/C32H37N9O2.C29H36N8O2.C29H34N8O2.C29H40N8O2/c1-7-30(42)35-24-16-25(29(43-6)17-27(24)40-12-9-23(10-13-40)38(3)4)36-32-34-19-28-20(2)14-26(41(28)37-32)22-15-21-8-11-39(5)31(21)33-18-22;1-7-28(38)31-22-15-23(27(39-6)16-25(22)36-12-9-21(10-13-36)34(3)4)32-29-30-17-26-19(2)14-24(37(26)33-29)20-8-11-35(5)18-20;1-6-28(38)32-22-15-23(27(39-5)16-25(22)36-12-9-21(10-13-36)35(3)4)33-29-31-18-26-19(2)14-24(37(26)34-29)20-8-7-11-30-17-20;1-6-27(38)31-22-17-23(26(39-5)18-24(22)35-14-10-21(11-15-35)34(3)4)32-29-30-19-25-20(2)16-28(37(25)33-29)36-12-8-7-9-13-36/h7-8,11,14-19,23H,1,9-10,12-13H2,2-6H3,(H,35,42)(H,36,37);7-8,11,14-18,21H,1,9-10,12-13H2,2-6H3,(H,31,38)(H,32,33);6-8,11,14-18,21H,1,9-10,12-13H2,2-5H3,(H,32,38)(H,33,34);6,16-19,21H,1,7-15H2,2-5H3,(H,31,38)(H,32,33)
• InChIKey: APBLVAIRYRSRGO-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 387.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.71
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (CID 157185480) is N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cccnc4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4ccn(C)c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cnc5c(ccn5C)c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(N4CCCCC4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.

What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The InChIKey is APBLVAIRYRSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N9O2.C29H36N8O2.C29H34N8O2.C29H40N8O2/c1-7-30(42)35-24-16-25(29(43-6)17-27(24)40-12-9-23(10-13-40)38(3)4)36-32-34-19-28-20(2)14-26(41(28)37-32)22-15-21-8-11-39(5)31(21)33-18-22;1-7-28(38)31-22-15-23(27(39-6)16-25(22)36-12-9-21(10-13-36)34(3)4)32-29-30-17-26-19(2)14-24(37(26)33-29)20-8-11-35(5)18-20;1-6-28(38)32-22-15-23(27(39-5)16-25(22)36-12-9-21(10-13-36)35(3)4)33-29-31-18-26-19(2)14-24(37(26)34-29)20-8-7-11-30-17-20;1-6-27(38)31-22-17-23(26(39-5)18-24(22)35-14-10-21(11-15-35)34(3)4)32-29-30-19-25-20(2)16-28(37(25)33-29)36-12-8-7-9-13-36/h7-8,11,14-19,23H,1,9-10,12-13H2,2-6H3,(H,35,42)(H,36,37);7-8,11,14-18,21H,1,9-10,12-13H2,2-6H3,(H,31,38)(H,32,33);6-8,11,14-18,21H,1,9-10,12-13H2,2-5H3,(H,32,38)(H,33,34);6,16-19,21H,1,7-15H2,2-5H3,(H,31,38)(H,32,33).

What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 2167.71 g/mol, XLogP of 18.39, 32 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1-methylpyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(5-methyl-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157185480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).