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

C24H29F3N8 — CID 149043613

IUPAC7-[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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN(C)CC(F)(F)F)cc3n2)c1
InChIInChI=1S/C24H29F3N8/c1-16(2)17-10-23(34-31-14-17)33-22-6-5-20-21(32-22)9-18(13-30-20)19(11-28)12-29-7-4-8-35(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15,28H2,1-3H3,(H,32,33,34)/b19-11?,29-12+
InChIKeySHVFEZLJOQZPPJ-FKEJLRKJSA-N
MW486.55 g/mol
LogP4.54
Rot. Bonds10

About 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

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 (PubChem CID 149043613) has the molecular formula C24H29F3N8 and a molecular weight of 486.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID149043613
Molecular FormulaC24H29F3N8
Molecular Weight486.55 g/mol
Exact Mass486.25
IUPAC Name7-[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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN(C)CC(F)(F)F)cc3n2)c1
InChIInChI=1S/C24H29F3N8/c1-16(2)17-10-23(34-31-14-17)33-22-6-5-20-21(32-22)9-18(13-30-20)19(11-28)12-29-7-4-8-35(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15,28H2,1-3H3,(H,32,33,34)/b19-11?,29-12+
InChIKeySHVFEZLJOQZPPJ-FKEJLRKJSA-N
XLogP4.54
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN(C)CC(F)(F)F)cc3n2)c1.
What is the InChIKey of 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?
The InChIKey is SHVFEZLJOQZPPJ-FKEJLRKJSA-N. The full InChI is InChI=1S/C24H29F3N8/c1-16(2)17-10-23(34-31-14-17)33-22-6-5-20-21(32-22)9-18(13-30-20)19(11-28)12-29-7-4-8-35(3)15-24(25,26)27/h5-6,9-14,16H,4,7-8,15,28H2,1-3H3,(H,32,33,34)/b19-11?,29-12+.
What are the key properties of 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?
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 has a molecular weight of 486.55 g/mol, XLogP of 4.54, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149043613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).