N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

C111H132N32O8 — CID 158130147

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

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 158130147) has the molecular formula C111H132N32O8 and a molecular weight of 2042.49 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 158130147
• Molecular Formula: C111H132N32O8
• Molecular Weight: 2042.49 g/mol
• Exact Mass: 2041.09
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4ccccc4)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)c(OC)cc1N1CCN(C)CC1
• InChI: InChI=1S/C29H37N9O2.C28H33N7O2.C27H33N9O2.C27H29N7O2/c1-8-28(39)31-22-14-23(27(40-7)15-25(22)37-11-9-20(10-12-37)35(4)5)32-29-30-16-26-18(2)13-24(38(26)34-29)21-17-36(6)33-19(21)3;1-7-27(36)30-21-16-22(26(37-6)17-24(21)34(5)14-13-33(3)4)31-28-29-18-25-19(2)15-23(35(25)32-28)20-11-9-8-10-12-20;1-7-26(37)29-20-13-21(25(38-6)14-23(20)35-10-8-33(4)9-11-35)30-27-28-15-24-17(2)12-22(36(24)32-27)19-16-34(5)31-18(19)3;1-4-26(35)29-21-16-22(25(36-3)17-24(21)33-14-12-32(2)13-15-33)30-27-28-18-20-10-11-23(34(20)31-27)19-8-6-5-7-9-19/h8,13-17,20H,1,9-12H2,2-7H3,(H,31,39)(H,32,34);7-12,15-18H,1,13-14H2,2-6H3,(H,30,36)(H,31,32);7,12-16H,1,8-11H2,2-6H3,(H,29,37)(H,30,32);4-11,16-18H,1,12-15H2,2-3H3,(H,29,35)(H,30,31)
• InChIKey: FSRCZLPLQBRQLK-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 383.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.49
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

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]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (CID 158130147) is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[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]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4ccccc4)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cn(C)nc4C)n3n2)c(OC)cc1N1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)c(OC)cc1N1CCN(C)CC1.

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

The InChIKey is FSRCZLPLQBRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N9O2.C28H33N7O2.C27H33N9O2.C27H29N7O2/c1-8-28(39)31-22-14-23(27(40-7)15-25(22)37-11-9-20(10-12-37)35(4)5)32-29-30-16-26-18(2)13-24(38(26)34-29)21-17-36(6)33-19(21)3;1-7-27(36)30-21-16-22(26(37-6)17-24(21)34(5)14-13-33(3)4)31-28-29-18-25-19(2)15-23(35(25)32-28)20-11-9-8-10-12-20;1-7-26(37)29-20-13-21(25(38-6)14-23(20)35-10-8-33(4)9-11-35)30-27-28-15-24-17(2)12-22(36(24)32-27)19-16-34(5)31-18(19)3;1-4-26(35)29-21-16-22(25(36-3)17-24(21)33-14-12-32(2)13-15-33)30-27-28-18-20-10-11-23(34(20)31-27)19-8-6-5-7-9-19/h8,13-17,20H,1,9-12H2,2-7H3,(H,31,39)(H,32,34);7-12,15-18H,1,13-14H2,2-6H3,(H,30,36)(H,31,32);7,12-16H,1,8-11H2,2-6H3,(H,29,37)(H,30,32);4-11,16-18H,1,12-15H2,2-3H3,(H,29,35)(H,30,31).

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

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 2042.49 g/mol, XLogP of 16.13, 32 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-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-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158130147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).