N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

C92H119N27O9 — CID 158675698

About N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 158675698) has the molecular formula C92H119N27O9 and a molecular weight of 1747.14 g/mol. Its IUPAC name is N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 158675698
• Molecular Formula: C92H119N27O9
• Molecular Weight: 1747.14 g/mol
• Exact Mass: 1745.97
• IUPAC Name: N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2cn3c(C)cnc3cn2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(C(C)C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(C)n3n2)c(OC)cc1N1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C4CC4)n3n2)c(OC)cc1OCCN(C)C
• InChI: InChI=1S/C25H35N7O2.C23H28N6O3.C22H27N7O2.C22H29N7O2/c1-9-24(33)27-18-13-19(23(34-8)14-21(18)31(7)11-10-30(5)6)28-25-26-15-22-17(4)12-20(16(2)3)32(22)29-25;1-5-22(30)25-18-12-17(20(31-4)13-21(18)32-11-10-28(2)3)26-23-24-14-16-8-9-19(15-6-7-15)29(16)27-23;1-5-21(30)24-17-12-18(25-22-23-14-16-7-6-15(2)29(16)26-22)20(31-4)13-19(17)28-10-8-27(3)9-11-28;1-7-22(30)26-16-10-17(19(31-6)11-18(16)28(5)9-8-27(3)4)25-20-14-29-15(2)12-24-21(29)13-23-20/h9,12-16H,1,10-11H2,2-8H3,(H,27,33)(H,28,29);5,8-9,12-15H,1,6-7,10-11H2,2-4H3,(H,25,30)(H,26,27);5-7,12-14H,1,8-11H2,2-4H3,(H,24,30)(H,25,26);7,10-14,25H,1,8-9H2,2-6H3,(H,26,30)
• InChIKey: IEMLUOGVGKSIKG-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 354.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.14
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (CID 158675698) is N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2cn3c(C)cnc3cn2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(C(C)C)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(C)n3n2)c(OC)cc1N1CCN(C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C4CC4)n3n2)c(OC)cc1OCCN(C)C.

What is the InChIKey of N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

The InChIKey is IEMLUOGVGKSIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2.C23H28N6O3.C22H27N7O2.C22H29N7O2/c1-9-24(33)27-18-13-19(23(34-8)14-21(18)31(7)11-10-30(5)6)28-25-26-15-22-17(4)12-20(16(2)3)32(22)29-25;1-5-22(30)25-18-12-17(20(31-4)13-21(18)32-11-10-28(2)3)26-23-24-14-16-8-9-19(15-6-7-15)29(16)27-23;1-5-21(30)24-17-12-18(25-22-23-14-16-7-6-15(2)29(16)26-22)20(31-4)13-19(17)28-10-8-27(3)9-11-28;1-7-22(30)26-16-10-17(19(31-6)11-18(16)28(5)9-8-27(3)4)25-20-14-29-15(2)12-24-21(29)13-23-20/h9,12-16H,1,10-11H2,2-8H3,(H,27,33)(H,28,29);5,8-9,12-15H,1,6-7,10-11H2,2-4H3,(H,25,30)(H,26,27);5-7,12-14H,1,8-11H2,2-4H3,(H,24,30)(H,25,26);7,10-14,25H,1,8-9H2,2-6H3,(H,26,30).

What are the key properties of N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide?

N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 1747.14 g/mol, XLogP of 13.04, 35 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(3-methylimidazo[1,2-a]pyrazin-6-yl)amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158675698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).