2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide

C25H25F2N5O3 — CID 145171524

IUPAC2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnn3c(C(C)O)cnc3c2)cc1NCc1cc(C)ccc1OC(F)F
InChIInChI=1S/C25H25F2N5O3/c1-14-4-7-22(35-25(26)27)18(8-14)11-29-20-9-16(5-6-19(20)24(34)28-3)17-10-23-30-13-21(15(2)33)32(23)31-12-17/h4-10,12-13,15,25,29,33H,11H2,1-3H3,(H,28,34)
InChIKeyCKVPRASALYPKFS-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.33
Rot. Bonds8

About 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide

2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide (PubChem CID 145171524) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
PubChem CID145171524
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnn3c(C(C)O)cnc3c2)cc1NCc1cc(C)ccc1OC(F)F
InChIInChI=1S/C25H25F2N5O3/c1-14-4-7-22(35-25(26)27)18(8-14)11-29-20-9-16(5-6-19(20)24(34)28-3)17-10-23-30-13-21(15(2)33)32(23)31-12-17/h4-10,12-13,15,25,29,33H,11H2,1-3H3,(H,28,34)
InChIKeyCKVPRASALYPKFS-UHFFFAOYSA-N
XLogP4.33
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide (CID 145171524) is 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cnn3c(C(C)O)cnc3c2)cc1NCc1cc(C)ccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
The InChIKey is CKVPRASALYPKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-14-4-7-22(35-25(26)27)18(8-14)11-29-20-9-16(5-6-19(20)24(34)28-3)17-10-23-30-13-21(15(2)33)32(23)31-12-17/h4-10,12-13,15,25,29,33H,11H2,1-3H3,(H,28,34).
What are the key properties of 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide?
2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide has a molecular weight of 481.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-4-[3-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 145171524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).