7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C20H18F3N7 — CID 90288861

IUPAC7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C(F)(F)F)cc3n2)c1
InChIInChI=1S/C20H18F3N7/c1-11(2)12-7-18(28-25-9-12)27-17-5-4-15-16(26-17)6-13(8-24-15)14-10-30(3)29-19(14)20(21,22)23/h4-11H,1-3H3,(H,26,27,28)
InChIKeyPYVVMPWKJWISFO-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.71
Rot. Bonds4

About 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288861) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288861
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C(F)(F)F)cc3n2)c1
InChIInChI=1S/C20H18F3N7/c1-11(2)12-7-18(28-25-9-12)27-17-5-4-15-16(26-17)6-13(8-24-15)14-10-30(3)29-19(14)20(21,22)23/h4-11H,1-3H3,(H,26,27,28)
InChIKeyPYVVMPWKJWISFO-UHFFFAOYSA-N
XLogP4.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288861) is 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C(F)(F)F)cc3n2)c1.
What is the InChIKey of 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is PYVVMPWKJWISFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c1-11(2)12-7-18(28-25-9-12)27-17-5-4-15-16(26-17)6-13(8-24-15)14-10-30(3)29-19(14)20(21,22)23/h4-11H,1-3H3,(H,26,27,28).
What are the key properties of 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 413.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).