N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

C27H26F2N6O5 — CID 155074144

About N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (PubChem CID 155074144) has the molecular formula C27H26F2N6O5 and a molecular weight of 552.54 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• PubChem CID: 155074144
• Molecular Formula: C27H26F2N6O5
• Molecular Weight: 552.54 g/mol
• Exact Mass: 552.19
• IUPAC Name: N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• SMILES: COCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
• InChI: InChI=1S/C27H26F2N6O5/c1-38-14-24(36)33-22-12-35-23(32-22)6-5-21(34-35)16-8-19(27(39-2)31-10-16)26(37)30-11-17-7-18(28)9-20(29)25(17)40-13-15-3-4-15/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,30,37)(H,33,36)
• InChIKey: QJISXUCSJCOLEN-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 128.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.54
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (CID 155074144) is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is COCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1.

What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

The InChIKey is QJISXUCSJCOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O5/c1-38-14-24(36)33-22-12-35-23(32-22)6-5-21(34-35)16-8-19(27(39-2)31-10-16)26(37)30-11-17-7-18(28)9-20(29)25(17)40-13-15-3-4-15/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,30,37)(H,33,36).

What are the key properties of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?

N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 3.38, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155074144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).