(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane

C28H42F4N4 — CID 145025465

IUPAC(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane
SMILESC.C=C/N=C(/C=C(\C)CN1CCc2c(N3CCC(F)(F)CC3)cc(C(=C)C)nc2C1)C(C)(F)F.CC
InChIInChI=1S/C25H32F4N4.C2H6.CH4/c1-6-30-23(24(5,26)27)13-18(4)15-32-10-7-19-21(16-32)31-20(17(2)3)14-22(19)33-11-8-25(28,29)9-12-33;1-2;/h6,13-14H,1-2,7-12,15-16H2,3-5H3;1-2H3;1H4/b18-13+,30-23-;;
InChIKeyFBMFGICLMPNAOI-JDOFNUGISA-N
MW510.66 g/mol
LogP7.56
Rot. Bonds7

About (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane

(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane (PubChem CID 145025465) has the molecular formula C28H42F4N4 and a molecular weight of 510.66 g/mol. Its IUPAC name is (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane.

Molecular Properties

Compound Name(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane
PubChem CID145025465
Molecular FormulaC28H42F4N4
Molecular Weight510.66 g/mol
Exact Mass510.33
IUPAC Name(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane
SMILESC.C=C/N=C(/C=C(\C)CN1CCc2c(N3CCC(F)(F)CC3)cc(C(=C)C)nc2C1)C(C)(F)F.CC
InChIInChI=1S/C25H32F4N4.C2H6.CH4/c1-6-30-23(24(5,26)27)13-18(4)15-32-10-7-19-21(16-32)31-20(17(2)3)14-22(19)33-11-8-25(28,29)9-12-33;1-2;/h6,13-14H,1-2,7-12,15-16H2,3-5H3;1-2H3;1H4/b18-13+,30-23-;;
InChIKeyFBMFGICLMPNAOI-JDOFNUGISA-N
XLogP7.56
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane with MolForge

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Related Compounds

1-[7-[(E)-4-ethenylimino-2,5,5-trimethylhex-2-enyl]-4-(4-methylphenyl)-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
CID 145025497
(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine
CID 145025485
6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
CID 168665760
2-[4-[2-[[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 155794251
2-(4,4-difluoroazepan-1-yl)-7-fluoro-3-prop-1-en-2-ylquinoline
CID 170368069
7-methyl-4-(4-prop-2-enoylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
CID 166504060
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134326358
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[1-[3-(methylamino)azetidin-1-yl]cyclopropyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 164519870
6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine
CID 156565881
[5-chloro-2-(4,4-difluoroazepan-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169248995
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
tert-butyl 2-[5-chloro-6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]acetate
CID 162705249

Frequently Asked Questions

What is the IUPAC name of (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane?
The IUPAC name of (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane (CID 145025465) is (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane.
What is the SMILES notation for (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane?
The canonical SMILES for (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane is C.C=C/N=C(/C=C(\C)CN1CCc2c(N3CCC(F)(F)CC3)cc(C(=C)C)nc2C1)C(C)(F)F.CC.
What is the InChIKey of (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane?
The InChIKey is FBMFGICLMPNAOI-JDOFNUGISA-N. The full InChI is InChI=1S/C25H32F4N4.C2H6.CH4/c1-6-30-23(24(5,26)27)13-18(4)15-32-10-7-19-21(16-32)31-20(17(2)3)14-22(19)33-11-8-25(28,29)9-12-33;1-2;/h6,13-14H,1-2,7-12,15-16H2,3-5H3;1-2H3;1H4/b18-13+,30-23-;;.
What are the key properties of (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane?
(E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane has a molecular weight of 510.66 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[4-(4,4-difluoropiperidin-1-yl)-2-prop-1-en-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-N-ethenyl-2,2-difluoro-5-methylhex-4-en-3-imine;ethane;methane is sourced from PubChem (CID 145025465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).