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

C25H29FN8O — CID 90289428

IUPAC7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)CN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C25H29FN8O/c1-17(2)18-10-25(32-28-12-18)31-24-4-3-22-23(30-24)9-19(11-27-22)20-13-29-34(14-20)16-21(26)15-33-5-7-35-8-6-33/h3-4,9-14,17,21H,5-8,15-16H2,1-2H3,(H,30,31,32)
InChIKeyYUCBSTWSQLTBMK-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.82
Rot. Bonds8

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

7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289428) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289428
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC Name7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)CN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C25H29FN8O/c1-17(2)18-10-25(32-28-12-18)31-24-4-3-22-23(30-24)9-19(11-27-22)20-13-29-34(14-20)16-21(26)15-33-5-7-35-8-6-33/h3-4,9-14,17,21H,5-8,15-16H2,1-2H3,(H,30,31,32)
InChIKeyYUCBSTWSQLTBMK-UHFFFAOYSA-N
XLogP3.82
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289428) is 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)CN5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is YUCBSTWSQLTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-17(2)18-10-25(32-28-12-18)31-24-4-3-22-23(30-24)9-19(11-27-22)20-13-29-34(14-20)16-21(26)15-33-5-7-35-8-6-33/h3-4,9-14,17,21H,5-8,15-16H2,1-2H3,(H,30,31,32).
What are the key properties of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 476.56 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).