N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

C27H26F2N6O4 — CID 155074295

About N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (PubChem CID 155074295) has the molecular formula C27H26F2N6O4 and a molecular weight of 537.55 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• PubChem CID: 155074295
• Molecular Formula: C27H26F2N6O4
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.20
• IUPAC Name: N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
• SMILES: [2H]C(Oc1c(F)cc(F)cc1CNC(=O)c1cc(-c2ccc3nc(NC(=O)CC)cn3n2)cnc1OC)C1CC1
• InChI: InChI=1S/C27H26F2N6O4/c1-3-24(36)33-22-13-35-23(32-22)7-6-21(34-35)16-9-19(27(38-2)31-11-16)26(37)30-12-17-8-18(28)10-20(29)25(17)39-14-15-4-5-15/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,30,37)(H,33,36)/i14D
• InChIKey: WGGCMJCNPCVDNE-FCFVPJCTSA-N
• XLogP: 4.15
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (CID 155074295) is N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is [2H]C(Oc1c(F)cc(F)cc1CNC(=O)c1cc(-c2ccc3nc(NC(=O)CC)cn3n2)cnc1OC)C1CC1.

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

The InChIKey is WGGCMJCNPCVDNE-FCFVPJCTSA-N. The full InChI is InChI=1S/C27H26F2N6O4/c1-3-24(36)33-22-13-35-23(32-22)7-6-21(34-35)16-9-19(27(38-2)31-11-16)26(37)30-12-17-8-18(28)10-20(29)25(17)39-14-15-4-5-15/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,30,37)(H,33,36)/i14D.

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

N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155074295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).