7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H30F2N8O — CID 144666312

IUPAC7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CC(F)(F)CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C25H30F2N8O/c1-17(2)18-10-24(34-31-14-18)33-23-4-3-21-22(32-23)9-19(13-30-21)20(11-28)12-29-15-25(26,27)16-35-5-7-36-8-6-35/h3-4,9-14,17H,5-8,15-16,28H2,1-2H3,(H,32,33,34)/b20-11?,29-12+
InChIKeyCGQMXSBHQXHPCN-SPWOFLHRSA-N
MW496.57 g/mol
LogP3.62
Rot. Bonds9

About 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 144666312) has the molecular formula C25H30F2N8O and a molecular weight of 496.57 g/mol. Its IUPAC name is 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-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-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID144666312
Molecular FormulaC25H30F2N8O
Molecular Weight496.57 g/mol
Exact Mass496.25
IUPAC Name7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CC(F)(F)CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C25H30F2N8O/c1-17(2)18-10-24(34-31-14-18)33-23-4-3-21-22(32-23)9-19(13-30-21)20(11-28)12-29-15-25(26,27)16-35-5-7-36-8-6-35/h3-4,9-14,17H,5-8,15-16,28H2,1-2H3,(H,32,33,34)/b20-11?,29-12+
InChIKeyCGQMXSBHQXHPCN-SPWOFLHRSA-N
XLogP3.62
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Elimusertib
CID 118869362
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
Sos1-IN-11
CID 156526876
5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
CID 155553415
3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887522
3-ethyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887568
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 68309298
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-[6-(dimethylamino)pyridin-3-yl]pyrido[3,4-b]pyrazin-5-amine
CID 68310172
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113911

Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-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-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 144666312) is 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-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-(2,2-difluoro-3-morpholin-4-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-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-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/CC(F)(F)CN4CCOCC4)cc3n2)c1.
What is the InChIKey of 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is CGQMXSBHQXHPCN-SPWOFLHRSA-N. The full InChI is InChI=1S/C25H30F2N8O/c1-17(2)18-10-24(34-31-14-18)33-23-4-3-21-22(32-23)9-19(13-30-21)20(11-28)12-29-15-25(26,27)16-35-5-7-36-8-6-35/h3-4,9-14,17H,5-8,15-16,28H2,1-2H3,(H,32,33,34)/b20-11?,29-12+.
What are the key properties of 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 496.57 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-amino-3-(2,2-difluoro-3-morpholin-4-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 144666312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).