N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide

C23H22F3N5O3 — CID 90456565

IUPACN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)nnc2C)cc1N1CCOCC1
InChIInChI=1S/C23H22F3N5O3/c1-14-18(16-11-19(22(33-2)27-13-16)31-6-8-34-9-7-31)12-20(30-29-14)28-21(32)15-4-3-5-17(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,30,32)
InChIKeyMWOBJWPJWFGNFV-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.96
Rot. Bonds5

About N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide

N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 90456565) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID90456565
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)nnc2C)cc1N1CCOCC1
InChIInChI=1S/C23H22F3N5O3/c1-14-18(16-11-19(22(33-2)27-13-16)31-6-8-34-9-7-31)12-20(30-29-14)28-21(32)15-4-3-5-17(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,30,32)
InChIKeyMWOBJWPJWFGNFV-UHFFFAOYSA-N
XLogP3.96
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide (CID 90456565) is N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide is COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)nnc2C)cc1N1CCOCC1.
What is the InChIKey of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is MWOBJWPJWFGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-14-18(16-11-19(22(33-2)27-13-16)31-6-8-34-9-7-31)12-20(30-29-14)28-21(32)15-4-3-5-17(10-15)23(24,25)26/h3-5,10-13H,6-9H2,1-2H3,(H,28,30,32).
What are the key properties of N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methylpyridazin-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).