1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine

C23H32F2N6O2 — CID 145361108

IUPAC1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine
SMILESC=C(NCc1cc(C)c(N2CC(C)OC(C)C2)nn1)Nc1cnc(OCC)c(C(C)(F)F)c1
InChIInChI=1S/C23H32F2N6O2/c1-7-32-22-20(23(6,24)25)9-18(10-27-22)28-17(5)26-11-19-8-14(2)21(30-29-19)31-12-15(3)33-16(4)13-31/h8-10,15-16,26,28H,5,7,11-13H2,1-4,6H3
InChIKeyPHJJSWXNJSADNH-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.98
Rot. Bonds9

About 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine

1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine (PubChem CID 145361108) has the molecular formula C23H32F2N6O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine
PubChem CID145361108
Molecular FormulaC23H32F2N6O2
Molecular Weight462.55 g/mol
Exact Mass462.26
IUPAC Name1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine
SMILESC=C(NCc1cc(C)c(N2CC(C)OC(C)C2)nn1)Nc1cnc(OCC)c(C(C)(F)F)c1
InChIInChI=1S/C23H32F2N6O2/c1-7-32-22-20(23(6,24)25)9-18(10-27-22)28-17(5)26-11-19-8-14(2)21(30-29-19)31-12-15(3)33-16(4)13-31/h8-10,15-16,26,28H,5,7,11-13H2,1-4,6H3
InChIKeyPHJJSWXNJSADNH-UHFFFAOYSA-N
XLogP3.98
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine with MolForge

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Related Compounds

US11104665, Example 1.5
CID 146538582
1-[4-[4-[(1S)-1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587423
1-[4-[4-[(1R)-1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587437
1-[4-[4-[1-[[6-[[6-(Trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587445
1-[4-[4-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-fluorophenyl]piperazin-1-yl]ethanone
CID 155770087
1-[4-[6-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155770089
1-[4-[4-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]-2,2-dimethylpiperazin-1-yl]ethanone
CID 155770102
6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]methyl]pyridazin-3-amine
CID 155770113
Zurletrectinib
CID 156371488
US11247990, Example 330
CID 138682709
US11247990, Example 337
CID 138715232
US11485727, Example 3
CID 155770068

Frequently Asked Questions

What is the IUPAC name of 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine (CID 145361108) is 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine is C=C(NCc1cc(C)c(N2CC(C)OC(C)C2)nn1)Nc1cnc(OCC)c(C(C)(F)F)c1.
What is the InChIKey of 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine?
The InChIKey is PHJJSWXNJSADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N6O2/c1-7-32-22-20(23(6,24)25)9-18(10-27-22)28-17(5)26-11-19-8-14(2)21(30-29-19)31-12-15(3)33-16(4)13-31/h8-10,15-16,26,28H,5,7,11-13H2,1-4,6H3.
What are the key properties of 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine?
1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine has a molecular weight of 462.55 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[5-(1,1-difluoroethyl)-6-ethoxy-3-pyridinyl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine is sourced from PubChem (CID 145361108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).