3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide

C24H25F2N5O3 — CID 90457245

IUPAC3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C24H25F2N5O3/c1-3-34-24-21(31-7-9-33-10-8-31)13-20(29-30-24)19-12-18(14-27-15(19)2)28-23(32)17-6-4-5-16(11-17)22(25)26/h4-6,11-14,22H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyUSDDJVQBULIBKZ-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.27
Rot. Bonds7

About 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide (PubChem CID 90457245) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide
PubChem CID90457245
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C24H25F2N5O3/c1-3-34-24-21(31-7-9-33-10-8-31)13-20(29-30-24)19-12-18(14-27-15(19)2)28-23(32)17-6-4-5-16(11-17)22(25)26/h4-6,11-14,22H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyUSDDJVQBULIBKZ-UHFFFAOYSA-N
XLogP4.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide (CID 90457245) is 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide is CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide?
The InChIKey is USDDJVQBULIBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-3-34-24-21(31-7-9-33-10-8-31)13-20(29-30-24)19-12-18(14-27-15(19)2)28-23(32)17-6-4-5-16(11-17)22(25)26/h4-6,11-14,22H,3,7-10H2,1-2H3,(H,28,32).
What are the key properties of 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide has a molecular weight of 469.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]benzamide is sourced from PubChem (CID 90457245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).