N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 134609394

IUPACN-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33)
InChIKeyBLQNDVARNNJNRY-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.78
Rot. Bonds7

About N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609394) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609394
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChIInChI=1S/C24H23F3N4O4/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33)
InChIKeyBLQNDVARNNJNRY-UHFFFAOYSA-N
XLogP3.78
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609394) is N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.
What is the InChIKey of N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BLQNDVARNNJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-18(20-10-19(23(2)12-34-13-23)22(31-30-20)35-7-6-32)9-17(11-28-14)29-21(33)15-4-3-5-16(8-15)24(25,26)27/h3-5,8-11,32H,6-7,12-13H2,1-2H3,(H,29,33).
What are the key properties of N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).