N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide

C110H142N36O8 — CID 157207316

About N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 157207316) has the molecular formula C110H142N36O8 and a molecular weight of 2096.59 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 157207316
• Molecular Formula: C110H142N36O8
• Molecular Weight: 2096.59 g/mol
• Exact Mass: 2095.18
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4c(C)nn(C)c4C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4c(C)nn(C)c4C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4cn(C)nc4C)n3n2)c(OC)cc1N(C)CCN(C)C
• InChI: InChI=1S/C30H39N9O2.2C27H35N9O2.C26H33N9O2/c1-9-28(40)32-22-15-23(27(41-8)16-24(22)38-12-10-21(11-13-38)36(5)6)33-30-31-17-26-18(2)14-25(39(26)35-30)29-19(3)34-37(7)20(29)4;1-9-26(37)29-20-13-21(25(38-8)14-23(20)34(6)11-10-33(4)5)30-27-28-15-24-17(2)12-22(36(24)32-27)19-16-35(7)31-18(19)3;1-9-25(37)29-20-14-21(24(38-8)15-23(20)34(6)13-12-33(4)5)30-27-28-16-19-10-11-22(36(19)32-27)26-17(2)31-35(7)18(26)3;1-8-25(36)28-20-13-21(24(37-7)14-23(20)33(5)12-11-32(3)4)29-26-27-15-18-9-10-22(35(18)31-26)19-16-34(6)30-17(19)2/h9,14-17,21H,1,10-13H2,2-8H3,(H,32,40)(H,33,35);9,12-16H,1,10-11H2,2-8H3,(H,29,37)(H,30,32);9-11,14-16H,1,12-13H2,2-8H3,(H,29,37)(H,30,32);8-10,13-16H,1,11-12H2,2-7H3,(H,28,36)(H,29,31)
• InChIKey: ARMSMGZQJJAUQL-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 419.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.59
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide (CID 157207316) is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4c(C)nn(C)c4C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4c(C)nn(C)c4C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4cn(C)nc4C)n3n2)c(OC)cc1N(C)CCN(C)C.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide?

The InChIKey is ARMSMGZQJJAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N9O2.2C27H35N9O2.C26H33N9O2/c1-9-28(40)32-22-15-23(27(41-8)16-24(22)38-12-10-21(11-13-38)36(5)6)33-30-31-17-26-18(2)14-25(39(26)35-30)29-19(3)34-37(7)20(29)4;1-9-26(37)29-20-13-21(25(38-8)14-23(20)34(6)11-10-33(4)5)30-27-28-15-24-17(2)12-22(36(24)32-27)19-16-35(7)31-18(19)3;1-9-25(37)29-20-14-21(24(38-8)15-23(20)34(6)13-12-33(4)5)30-27-28-16-19-10-11-22(36(19)32-27)26-17(2)31-35(7)18(26)3;1-8-25(36)28-20-13-21(24(37-7)14-23(20)33(5)12-11-32(3)4)29-26-27-15-18-9-10-22(35(18)31-26)19-16-34(6)30-17(19)2/h9,14-17,21H,1,10-13H2,2-8H3,(H,32,40)(H,33,35);9,12-16H,1,10-11H2,2-8H3,(H,29,37)(H,30,32);9-11,14-16H,1,12-13H2,2-8H3,(H,29,37)(H,30,32);8-10,13-16H,1,11-12H2,2-7H3,(H,28,36)(H,29,31).

What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide?

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2096.59 g/mol, XLogP of 15.02, 38 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-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-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157207316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).