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

C26H32F2N8 — CID 162614875

IUPAC7-[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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN4CCC(F)(F)CC4)cc3n2)c1
InChIInChI=1S/C26H32F2N8/c1-18(2)19-13-25(35-32-17-19)34-24-5-4-22-23(33-24)12-20(16-31-22)21(14-29)15-30-8-3-9-36-10-6-26(27,28)7-11-36/h4-5,12-18H,3,6-11,29H2,1-2H3,(H,33,34,35)/b21-14?,30-15+
InChIKeyKSLJHZWDWLRYDU-RXIORKKLSA-N
MW494.59 g/mol
LogP4.78
Rot. Bonds9

About 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

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 (PubChem CID 162614875) has the molecular formula C26H32F2N8 and a molecular weight of 494.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID162614875
Molecular FormulaC26H32F2N8
Molecular Weight494.59 g/mol
Exact Mass494.27
IUPAC Name7-[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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN4CCC(F)(F)CC4)cc3n2)c1
InChIInChI=1S/C26H32F2N8/c1-18(2)19-13-25(35-32-17-19)34-24-5-4-22-23(33-24)12-20(16-31-22)21(14-29)15-30-8-3-9-36-10-6-26(27,28)7-11-36/h4-5,12-18H,3,6-11,29H2,1-2H3,(H,33,34,35)/b21-14?,30-15+
InChIKeyKSLJHZWDWLRYDU-RXIORKKLSA-N
XLogP4.78
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.78
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'}

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 154440671
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-[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
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
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
tert-butyl 4-[3-[[3-amino-2-[6-[(1-methylcyclopentyl)carbamoylamino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]piperazine-1-carboxylate
CID 144521267
N-methyl-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288849
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
(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide
CID 163503185

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCCN4CCC(F)(F)CC4)cc3n2)c1.
What is the InChIKey of 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?
The InChIKey is KSLJHZWDWLRYDU-RXIORKKLSA-N. The full InChI is InChI=1S/C26H32F2N8/c1-18(2)19-13-25(35-32-17-19)34-24-5-4-22-23(33-24)12-20(16-31-22)21(14-29)15-30-8-3-9-36-10-6-26(27,28)7-11-36/h4-5,12-18H,3,6-11,29H2,1-2H3,(H,33,34,35)/b21-14?,30-15+.
What are the key properties of 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?
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 has a molecular weight of 494.59 g/mol, XLogP of 4.78, 9 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-(4,4-difluoropiperidin-1-yl)propylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 162614875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).