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

C26H30F2N8 — CID 90288497

IUPAC7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)(F)CC5)c4)cc3n2)c1
InChIInChI=1S/C26H30F2N8/c1-18(2)19-13-25(34-30-15-19)33-24-5-4-22-23(32-24)12-20(14-29-22)21-16-31-36(17-21)9-3-8-35-10-6-26(27,28)7-11-35/h4-5,12-18H,3,6-11H2,1-2H3,(H,32,33,34)
InChIKeyQHKJUVPILIQZDT-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.27
Rot. Bonds8

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

7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288497) has the molecular formula C26H30F2N8 and a molecular weight of 492.58 g/mol. Its IUPAC name is 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288497
Molecular FormulaC26H30F2N8
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)(F)CC5)c4)cc3n2)c1
InChIInChI=1S/C26H30F2N8/c1-18(2)19-13-25(34-30-15-19)33-24-5-4-22-23(32-24)12-20(14-29-22)21-16-31-36(17-21)9-3-8-35-10-6-26(27,28)7-11-35/h4-5,12-18H,3,6-11H2,1-2H3,(H,32,33,34)
InChIKeyQHKJUVPILIQZDT-UHFFFAOYSA-N
XLogP5.27
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288497) is 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)(F)CC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is QHKJUVPILIQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8/c1-18(2)19-13-25(34-30-15-19)33-24-5-4-22-23(32-24)12-20(14-29-22)21-16-31-36(17-21)9-3-8-35-10-6-26(27,28)7-11-35/h4-5,12-18H,3,6-11H2,1-2H3,(H,32,33,34).
What are the key properties of 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 492.58 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).