N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C24H24F3N5O4 — CID 90460944

IUPACN-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1
InChIInChI=1S/C24H24F3N5O4/c1-15-2-3-17(29-22(34)20-12-16(4-5-28-20)24(25,26)27)13-18(15)19-14-21(32-6-9-35-10-7-32)23(31-30-19)36-11-8-33/h2-5,12-14,33H,6-11H2,1H3,(H,29,34)
InChIKeyGBXAKHYDTFYYJH-UHFFFAOYSA-N
MW503.48 g/mol
LogP3.33
Rot. Bonds7

About N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90460944) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90460944
Molecular FormulaC24H24F3N5O4
Molecular Weight503.48 g/mol
Exact Mass503.18
IUPAC NameN-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1
InChIInChI=1S/C24H24F3N5O4/c1-15-2-3-17(29-22(34)20-12-16(4-5-28-20)24(25,26)27)13-18(15)19-14-21(32-6-9-35-10-7-32)23(31-30-19)36-11-8-33/h2-5,12-14,33H,6-11H2,1H3,(H,29,34)
InChIKeyGBXAKHYDTFYYJH-UHFFFAOYSA-N
XLogP3.33
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 90460944) is N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OCCO)nn1.
What is the InChIKey of N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GBXAKHYDTFYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-15-2-3-17(29-22(34)20-12-16(4-5-28-20)24(25,26)27)13-18(15)19-14-21(32-6-9-35-10-7-32)23(31-30-19)36-11-8-33/h2-5,12-14,33H,6-11H2,1H3,(H,29,34).
What are the key properties of N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90460944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).