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

C25H28F2N8O — CID 118504212

IUPAC7-[1-(2,2-difluoro-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)(F)CN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-17(2)18-10-24(33-29-12-18)32-23-4-3-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-5-7-36-8-6-34/h3-4,9-14,17H,5-8,15-16H2,1-2H3,(H,31,32,33)
InChIKeySBDMYVCRBJCFMM-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.12
Rot. Bonds8

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

7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118504212) has the molecular formula C25H28F2N8O and a molecular weight of 494.55 g/mol. Its IUPAC name is 7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID118504212
Molecular FormulaC25H28F2N8O
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC Name7-[1-(2,2-difluoro-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)(F)CN5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-17(2)18-10-24(33-29-12-18)32-23-4-3-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-5-7-36-8-6-34/h3-4,9-14,17H,5-8,15-16H2,1-2H3,(H,31,32,33)
InChIKeySBDMYVCRBJCFMM-UHFFFAOYSA-N
XLogP4.12
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)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-(2,2-difluoro-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-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118504212) is 7-[1-(2,2-difluoro-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-(2,2-difluoro-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-(2,2-difluoro-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)(F)CN5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is SBDMYVCRBJCFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O/c1-17(2)18-10-24(33-29-12-18)32-23-4-3-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-5-7-36-8-6-34/h3-4,9-14,17H,5-8,15-16H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 494.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118504212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).