7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H34N8O — CID 147945532

IUPAC7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC1CN(CCC/N=C/C(=C(C)N)c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)C1
InChIInChI=1S/C26H34N8O/c1-17(2)19-11-26(33-30-13-19)32-25-7-6-23-24(31-25)10-20(12-29-23)22(18(3)27)14-28-8-5-9-34-15-21(16-34)35-4/h6-7,10-14,17,21H,5,8-9,15-16,27H2,1-4H3,(H,31,32,33)/b22-18?,28-14+
InChIKeyKWIJYLBXVYAVJF-ZPTBJFLSSA-N
MW474.61 g/mol
LogP3.77
Rot. Bonds10

About 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 147945532) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID147945532
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC1CN(CCC/N=C/C(=C(C)N)c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)C1
InChIInChI=1S/C26H34N8O/c1-17(2)19-11-26(33-30-13-19)32-25-7-6-23-24(31-25)10-20(12-29-23)22(18(3)27)14-28-8-5-9-34-15-21(16-34)35-4/h6-7,10-14,17,21H,5,8-9,15-16,27H2,1-4H3,(H,31,32,33)/b22-18?,28-14+
InChIKeyKWIJYLBXVYAVJF-ZPTBJFLSSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Related Compounds

7-[3-amino-1-[3-[(5R)-5-methyl-4-oxa-7-azaspiro[2.5]octan-7-yl]propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 163598895
7-[1-amino-3-[3-(4,4-difluoropiperidin-1-yl)propylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 162614875
7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 147983599
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
7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 131991156
7-[3-amino-1-methylimino-4-(4-pyridin-4-ylpiperazin-1-yl)but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 163929599
7-[1-amino-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 149043613
7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 144665115
7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 154440671
7-[1-[3-(3-butoxyazetidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289166
N-methyl-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288849
7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 159005359

Frequently Asked Questions

What is the IUPAC name of 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 147945532) is 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COC1CN(CCC/N=C/C(=C(C)N)c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)C1.
What is the InChIKey of 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is KWIJYLBXVYAVJF-ZPTBJFLSSA-N. The full InChI is InChI=1S/C26H34N8O/c1-17(2)19-11-26(33-30-13-19)32-25-7-6-23-24(31-25)10-20(12-29-23)22(18(3)27)14-28-8-5-9-34-15-21(16-34)35-4/h6-7,10-14,17,21H,5,8-9,15-16,27H2,1-4H3,(H,31,32,33)/b22-18?,28-14+.
What are the key properties of 7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-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-[3-amino-1-[3-(3-methoxyazetidin-1-yl)propylimino]but-2-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 147945532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).