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

C27H36N8O2 — CID 123756148

IUPAC7-[1-(2-ethoxy-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(CN1CCOCC1)OCC)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C27H36N8O2/c1-4-37-23(18-35-7-9-36-10-8-35)17-29-14-22(13-28)21-11-25-24(30-15-21)5-6-26(32-25)33-27-12-20(19(2)3)16-31-34-27/h5-6,11-16,19,22-23,28H,4,7-10,17-18H2,1-3H3,(H,32,33,34)/b28-13+,29-14+
InChIKeyVDAQOPOAFJPPGW-JOFLXYQRSA-N
MW504.64 g/mol
LogP3.83
Rot. Bonds12

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

7-[1-(2-ethoxy-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 123756148) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 7-[1-(2-ethoxy-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-ethoxy-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID123756148
Molecular FormulaC27H36N8O2
Molecular Weight504.64 g/mol
Exact Mass504.30
IUPAC Name7-[1-(2-ethoxy-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(CN1CCOCC1)OCC)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C27H36N8O2/c1-4-37-23(18-35-7-9-36-10-8-35)17-29-14-22(13-28)21-11-25-24(30-15-21)5-6-26(32-25)33-27-12-20(19(2)3)16-31-34-27/h5-6,11-16,19,22-23,28H,4,7-10,17-18H2,1-3H3,(H,32,33,34)/b28-13+,29-14+
InChIKeyVDAQOPOAFJPPGW-JOFLXYQRSA-N
XLogP3.83
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-[1-(2-ethoxy-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-ethoxy-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-ethoxy-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 123756148) is 7-[1-(2-ethoxy-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-ethoxy-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-ethoxy-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(CN1CCOCC1)OCC)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of 7-[1-(2-ethoxy-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is VDAQOPOAFJPPGW-JOFLXYQRSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-4-37-23(18-35-7-9-36-10-8-35)17-29-14-22(13-28)21-11-25-24(30-15-21)5-6-26(32-25)33-27-12-20(19(2)3)16-31-34-27/h5-6,11-16,19,22-23,28H,4,7-10,17-18H2,1-3H3,(H,32,33,34)/b28-13+,29-14+.
What are the key properties of 7-[1-(2-ethoxy-3-morpholin-4-ylpropyl)imino-3-iminopropan-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2-ethoxy-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 504.64 g/mol, XLogP of 3.83, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-ethoxy-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 123756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).