N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C25H26F3N5O3 — CID 90456617

IUPACN-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H26F3N5O3/c1-15(2)36-24-22(33-8-10-35-11-9-33)14-20(31-32-24)19-13-18(5-4-16(19)3)30-23(34)21-12-17(6-7-29-21)25(26,27)28/h4-7,12-15H,8-11H2,1-3H3,(H,30,34)
InChIKeyRSTXFOXHTPABQN-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.74
Rot. Bonds6

About N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90456617) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90456617
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC NameN-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H26F3N5O3/c1-15(2)36-24-22(33-8-10-35-11-9-33)14-20(31-32-24)19-13-18(5-4-16(19)3)30-23(34)21-12-17(6-7-29-21)25(26,27)28/h4-7,12-15H,8-11H2,1-3H3,(H,30,34)
InChIKeyRSTXFOXHTPABQN-UHFFFAOYSA-N
XLogP4.74
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 90456617) is N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RSTXFOXHTPABQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-15(2)36-24-22(33-8-10-35-11-9-33)14-20(31-32-24)19-13-18(5-4-16(19)3)30-23(34)21-12-17(6-7-29-21)25(26,27)28/h4-7,12-15H,8-11H2,1-3H3,(H,30,34).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90456617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).