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

C20H18F3N7 — CID 90288587

IUPACN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)F)c4)cc3n2)c1
InChIInChI=1S/C20H18F3N7/c1-12(2)13-6-19(29-25-8-13)28-18-4-3-16-17(27-18)5-14(7-24-16)15-9-26-30(10-15)11-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,27,28,29)
InChIKeyOTPSLZGCLXZGTQ-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.71
Rot. Bonds5

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

N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (PubChem CID 90288587) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
PubChem CID90288587
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC NameN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)F)c4)cc3n2)c1
InChIInChI=1S/C20H18F3N7/c1-12(2)13-6-19(29-25-8-13)28-18-4-3-16-17(27-18)5-14(7-24-16)15-9-26-30(10-15)11-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,27,28,29)
InChIKeyOTPSLZGCLXZGTQ-UHFFFAOYSA-N
XLogP4.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
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 N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (CID 90288587) is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)F)c4)cc3n2)c1.
What is the InChIKey of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The InChIKey is OTPSLZGCLXZGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c1-12(2)13-6-19(29-25-8-13)28-18-4-3-16-17(27-18)5-14(7-24-16)15-9-26-30(10-15)11-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,27,28,29).
What are the key properties of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine has a molecular weight of 413.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).