7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H34N8O — CID 148722426

IUPAC7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(C/N=C/C(=CN)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1)CN1CCCC1
InChIInChI=1S/C26H34N8O/c1-18(2)19-11-26(33-30-15-19)32-25-7-6-23-24(31-25)10-20(14-29-23)21(12-27)13-28-16-22(35-3)17-34-8-4-5-9-34/h6-7,10-15,18,22H,4-5,8-9,16-17,27H2,1-3H3,(H,31,32,33)/b21-12?,28-13+
InChIKeyHCYVJULRSYJAAX-SKEZNKEPSA-N
MW474.61 g/mol
LogP3.77
Rot. Bonds10

About 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 148722426) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID148722426
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(C/N=C/C(=CN)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1)CN1CCCC1
InChIInChI=1S/C26H34N8O/c1-18(2)19-11-26(33-30-15-19)32-25-7-6-23-24(31-25)10-20(14-29-23)21(12-27)13-28-16-22(35-3)17-34-8-4-5-9-34/h6-7,10-15,18,22H,4-5,8-9,16-17,27H2,1-3H3,(H,31,32,33)/b21-12?,28-13+
InChIKeyHCYVJULRSYJAAX-SKEZNKEPSA-N
XLogP3.77
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 148722426) is 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COC(C/N=C/C(=CN)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1)CN1CCCC1.
What is the InChIKey of 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is HCYVJULRSYJAAX-SKEZNKEPSA-N. The full InChI is InChI=1S/C26H34N8O/c1-18(2)19-11-26(33-30-15-19)32-25-7-6-23-24(31-25)10-20(14-29-23)21(12-27)13-28-16-22(35-3)17-34-8-4-5-9-34/h6-7,10-15,18,22H,4-5,8-9,16-17,27H2,1-3H3,(H,31,32,33)/b21-12?,28-13+.
What are the key properties of 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 474.61 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 148722426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).