N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide

C108H131N31O8 — CID 159226271

About N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 159226271) has the molecular formula C108H131N31O8 and a molecular weight of 1991.44 g/mol. Its IUPAC name is N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 159226271
• Molecular Formula: C108H131N31O8
• Molecular Weight: 1991.44 g/mol
• Exact Mass: 1990.08
• IUPAC Name: N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cnn(C)c4)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4cnc5ccccc5c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C4CC4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1
• InChI: InChI=1S/C32H34N8O2.C26H33N9O2.C26H33N7O2.C24H31N7O2/c1-5-31(41)35-26-17-27(30(42-4)18-29(26)39-14-12-23(13-15-39)38(2)3)36-32-34-20-24-10-11-28(40(24)37-32)22-16-21-8-6-7-9-25(21)33-19-22;1-8-25(36)29-19-12-20(24(37-7)13-22(19)33(5)10-9-32(3)4)30-26-27-15-23-17(2)11-21(35(23)31-26)18-14-28-34(6)16-18;1-5-25(34)28-20-14-21(24(35-4)15-23(20)32-12-10-18(11-13-32)31(2)3)29-26-27-16-19-8-9-22(17-6-7-17)33(19)30-26;1-6-23(32)26-19-13-20(27-24-25-15-18-8-7-16(2)31(18)28-24)22(33-5)14-21(19)30-11-9-17(10-12-30)29(3)4/h5-11,16-20,23H,1,12-15H2,2-4H3,(H,35,41)(H,36,37);8,11-16H,1,9-10H2,2-7H3,(H,29,36)(H,30,31);5,8-9,14-18H,1,6-7,10-13H2,2-4H3,(H,28,34)(H,29,30);6-8,13-15,17H,1,9-12H2,2-5H3,(H,26,32)(H,27,28)
• InChIKey: KSIAXHXOJDZMJI-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 378.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.44
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide (CID 159226271) is N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2ncc3c(C)cc(-c4cnn(C)c4)n3n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2ncc3ccc(-c4cnc5ccccc5c4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.C=CC(=O)Nc1cc(Nc2ncc3ccc(C4CC4)n3n2)c(OC)cc1N1CCC(N(C)C)CC1.

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

The InChIKey is KSIAXHXOJDZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O2.C26H33N9O2.C26H33N7O2.C24H31N7O2/c1-5-31(41)35-26-17-27(30(42-4)18-29(26)39-14-12-23(13-15-39)38(2)3)36-32-34-20-24-10-11-28(40(24)37-32)22-16-21-8-6-7-9-25(21)33-19-22;1-8-25(36)29-19-12-20(24(37-7)13-22(19)33(5)10-9-32(3)4)30-26-27-15-23-17(2)11-21(35(23)31-26)18-14-28-34(6)16-18;1-5-25(34)28-20-14-21(24(35-4)15-23(20)32-12-10-18(11-13-32)31(2)3)29-26-27-16-19-8-9-22(17-6-7-17)33(19)30-26;1-6-23(32)26-19-13-20(27-24-25-15-18-8-7-16(2)31(18)28-24)22(33-5)14-21(19)30-11-9-17(10-12-30)29(3)4/h5-11,16-20,23H,1,12-15H2,2-4H3,(H,35,41)(H,36,37);8,11-16H,1,9-10H2,2-7H3,(H,29,36)(H,30,31);5,8-9,14-18H,1,6-7,10-13H2,2-4H3,(H,28,34)(H,29,30);6-8,13-15,17H,1,9-12H2,2-5H3,(H,26,32)(H,27,28).

What are the key properties of N-[5-[(7-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 1991.44 g/mol, XLogP of 16.12, 33 rotatable bonds, 8 hydrogen bond donors, and 35 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-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-7-(1-methylpyrazol-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-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(7-quinolin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159226271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).