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

C25H31FN8O — CID 123809895

IUPAC7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILES[H]/N=C/C(/C=N/CC(F)CN1CCOCC1)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C25H31FN8O/c1-17(2)18-10-25(33-30-14-18)32-24-4-3-22-23(31-24)9-19(13-29-22)20(11-27)12-28-15-21(26)16-34-5-7-35-8-6-34/h3-4,9-14,17,20-21,27H,5-8,15-16H2,1-2H3,(H,31,32,33)/b27-11+,28-12+
InChIKeyUAIGONDYFNQGKL-NXMZODBASA-N
MW478.58 g/mol
LogP3.76
Rot. Bonds10

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

7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 123809895) has the molecular formula C25H31FN8O and a molecular weight of 478.58 g/mol. Its IUPAC name is 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID123809895
Molecular FormulaC25H31FN8O
Molecular Weight478.58 g/mol
Exact Mass478.26
IUPAC Name7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILES[H]/N=C/C(/C=N/CC(F)CN1CCOCC1)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C25H31FN8O/c1-17(2)18-10-25(33-30-14-18)32-24-4-3-22-23(31-24)9-19(13-29-22)20(11-27)12-28-15-21(26)16-34-5-7-35-8-6-34/h3-4,9-14,17,20-21,27H,5-8,15-16H2,1-2H3,(H,31,32,33)/b27-11+,28-12+
InChIKeyUAIGONDYFNQGKL-NXMZODBASA-N
XLogP3.76
TPSA112.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-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-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-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)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 123809895) is 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-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)imino-3-iminopropan-2-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)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is [H]/N=C/C(/C=N/CC(F)CN1CCOCC1)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is UAIGONDYFNQGKL-NXMZODBASA-N. The full InChI is InChI=1S/C25H31FN8O/c1-17(2)18-10-25(33-30-14-18)32-24-4-3-22-23(31-24)9-19(13-29-22)20(11-27)12-28-15-21(26)16-34-5-7-35-8-6-34/h3-4,9-14,17,20-21,27H,5-8,15-16H2,1-2H3,(H,31,32,33)/b27-11+,28-12+.
What are the key properties of 7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2-fluoro-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 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)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 123809895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).