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

C20H19F2N7 — CID 90288714

IUPAC7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)F)c4)cc3n2)c1
InChIInChI=1S/C20H19F2N7/c1-12(2)13-6-20(28-24-8-13)27-19-4-3-16-17(26-19)5-14(7-23-16)15-9-25-29(10-15)11-18(21)22/h3-10,12,18H,11H2,1-2H3,(H,26,27,28)
InChIKeyDYYXIUZJUXTRJP-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.42
Rot. Bonds6

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

7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288714) has the molecular formula C20H19F2N7 and a molecular weight of 395.42 g/mol. Its IUPAC name is 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288714
Molecular FormulaC20H19F2N7
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)F)c4)cc3n2)c1
InChIInChI=1S/C20H19F2N7/c1-12(2)13-6-20(28-24-8-13)27-19-4-3-16-17(26-19)5-14(7-23-16)15-9-25-29(10-15)11-18(21)22/h3-10,12,18H,11H2,1-2H3,(H,26,27,28)
InChIKeyDYYXIUZJUXTRJP-UHFFFAOYSA-N
XLogP4.42
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288714) is 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)F)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is DYYXIUZJUXTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7/c1-12(2)13-6-20(28-24-8-13)27-19-4-3-16-17(26-19)5-14(7-23-16)15-9-25-29(10-15)11-18(21)22/h3-10,12,18H,11H2,1-2H3,(H,26,27,28).
What are the key properties of 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 395.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).