N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide

C85H108ClF2N33O8 — CID 162194415

About N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide

N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide (PubChem CID 162194415) has the molecular formula C85H108ClF2N33O8 and a molecular weight of 1793.47 g/mol. Its IUPAC name is N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
• PubChem CID: 162194415
• Molecular Formula: C85H108ClF2N33O8
• Molecular Weight: 1793.47 g/mol
• Exact Mass: 1791.87
• IUPAC Name: N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
• SMILES: C.C=CC(=O)NC1CN(c2cn3c(C(C)C)cnc3c(Nc3cn(C)nc3OC)n2)CC1C.C=CC(=O)NC1CN(c2cn3c(C4CC4)cnc3c(Nc3cn(C)nc3OC)n2)CC1C.C=CC(=O)NC1CN(c2cn3c(Cl)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.C=CC(=O)NC1CN(c2nc(Nc3cn(C)nc3OC)c3ncc(C45CC(C4)C5)n3n2)CC1F
• InChI: InChI=1S/C22H26FN9O2.C22H28N8O2.C22H30N8O2.C18H20ClFN8O2.CH4/c1-4-17(33)25-14-11-31(9-13(14)23)21-27-18(26-15-10-30(2)28-20(15)34-3)19-24-8-16(32(19)29-21)22-5-12(6-22)7-22;1-5-19(31)24-15-11-29(9-13(15)2)18-12-30-17(14-6-7-14)8-23-21(30)20(26-18)25-16-10-28(3)27-22(16)32-4;1-7-19(31)24-15-11-29(9-14(15)4)18-12-30-17(13(2)3)8-23-21(30)20(26-18)25-16-10-28(5)27-22(16)32-6;1-4-15(29)22-11-8-27(6-10(11)20)14-9-28-13(19)5-21-17(28)16(24-14)23-12-7-26(2)25-18(12)30-3;/h4,8,10,12-14H,1,5-7,9,11H2,2-3H3,(H,25,33)(H,26,27,29);5,8,10,12-15H,1,6-7,9,11H2,2-4H3,(H,24,31)(H,25,26);7-8,10,12-15H,1,9,11H2,2-6H3,(H,24,31)(H,25,26);4-5,7,9-11H,1,6,8H2,2-3H3,(H,22,29)(H,23,24);1H4
• InChIKey: ZQTCVGABXJGCHN-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 419.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.47
LogP ≤ 5	8.51
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-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The IUPAC name of N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide (CID 162194415) is N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide.

What is the SMILES notation for N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The canonical SMILES for N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide is C.C=CC(=O)NC1CN(c2cn3c(C(C)C)cnc3c(Nc3cn(C)nc3OC)n2)CC1C.C=CC(=O)NC1CN(c2cn3c(C4CC4)cnc3c(Nc3cn(C)nc3OC)n2)CC1C.C=CC(=O)NC1CN(c2cn3c(Cl)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.C=CC(=O)NC1CN(c2nc(Nc3cn(C)nc3OC)c3ncc(C45CC(C4)C5)n3n2)CC1F.

What is the InChIKey of N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The InChIKey is ZQTCVGABXJGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN9O2.C22H28N8O2.C22H30N8O2.C18H20ClFN8O2.CH4/c1-4-17(33)25-14-11-31(9-13(14)23)21-27-18(26-15-10-30(2)28-20(15)34-3)19-24-8-16(32(19)29-21)22-5-12(6-22)7-22;1-5-19(31)24-15-11-29(9-13(15)2)18-12-30-17(14-6-7-14)8-23-21(30)20(26-18)25-16-10-28(3)27-22(16)32-4;1-7-19(31)24-15-11-29(9-14(15)4)18-12-30-17(13(2)3)8-23-21(30)20(26-18)25-16-10-28(5)27-22(16)32-6;1-4-15(29)22-11-8-27(6-10(11)20)14-9-28-13(19)5-21-17(28)16(24-14)23-12-7-26(2)25-18(12)30-3;/h4,8,10,12-14H,1,5-7,9,11H2,2-3H3,(H,25,33)(H,26,27,29);5,8,10,12-15H,1,6-7,9,11H2,2-4H3,(H,24,31)(H,25,26);7-8,10,12-15H,1,9,11H2,2-6H3,(H,24,31)(H,25,26);4-5,7,9-11H,1,6,8H2,2-3H3,(H,22,29)(H,23,24);1H4.

What are the key properties of N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide has a molecular weight of 1793.47 g/mol, XLogP of 8.51, 27 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 162194415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).