2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine

C23H18F6N8O — CID 59762772

IUPAC2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2cc(CN3CCOCC3)nc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C23H18F6N8O/c24-22(25,26)13-10-30-21(31-11-13)35-18-9-14(12-37-5-7-38-8-6-37)33-20-15(18)1-2-17(34-20)19-16(23(27,28)29)3-4-32-36-19/h1-4,9-11H,5-8,12H2,(H,30,31,33,34,35)
InChIKeyRKLHWLMQBXCONX-UHFFFAOYSA-N
MW536.44 g/mol
LogP4.49
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine

2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (PubChem CID 59762772) has the molecular formula C23H18F6N8O and a molecular weight of 536.44 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
PubChem CID59762772
Molecular FormulaC23H18F6N8O
Molecular Weight536.44 g/mol
Exact Mass536.15
IUPAC Name2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1cnc(Nc2cc(CN3CCOCC3)nc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C23H18F6N8O/c24-22(25,26)13-10-30-21(31-11-13)35-18-9-14(12-37-5-7-38-8-6-37)33-20-15(18)1-2-17(34-20)19-16(23(27,28)29)3-4-32-36-19/h1-4,9-11H,5-8,12H2,(H,30,31,33,34,35)
InChIKeyRKLHWLMQBXCONX-UHFFFAOYSA-N
XLogP4.49
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine (CID 59762772) is 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is FC(F)(F)c1cnc(Nc2cc(CN3CCOCC3)nc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
The InChIKey is RKLHWLMQBXCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N8O/c24-22(25,26)13-10-30-21(31-11-13)35-18-9-14(12-37-5-7-38-8-6-37)33-20-15(18)1-2-17(34-20)19-16(23(27,28)29)3-4-32-36-19/h1-4,9-11H,5-8,12H2,(H,30,31,33,34,35).
What are the key properties of 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine?
2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine has a molecular weight of 536.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 59762772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).