10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine

C23H28F3N7O2 — CID 71294319

IUPAC10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine
SMILESCCN1CCOc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c(NCC3CCN(C)CC3)c21
InChIInChI=1S/C23H28F3N7O2/c1-3-32-11-12-34-22-19(32)18(27-14-15-7-9-31(2)10-8-15)21-29-28-20(33(21)30-22)16-5-4-6-17(13-16)35-23(24,25)26/h4-6,13,15,27H,3,7-12,14H2,1-2H3
InChIKeySXKLBWHPONWBNP-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.66
Rot. Bonds6

About 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine

10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine (PubChem CID 71294319) has the molecular formula C23H28F3N7O2 and a molecular weight of 491.52 g/mol. Its IUPAC name is 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine.

Molecular Properties

Compound Name10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine
PubChem CID71294319
Molecular FormulaC23H28F3N7O2
Molecular Weight491.52 g/mol
Exact Mass491.23
IUPAC Name10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine
SMILESCCN1CCOc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c(NCC3CCN(C)CC3)c21
InChIInChI=1S/C23H28F3N7O2/c1-3-32-11-12-34-22-19(32)18(27-14-15-7-9-31(2)10-8-15)21-29-28-20(33(21)30-22)16-5-4-6-17(13-16)35-23(24,25)26/h4-6,13,15,27H,3,7-12,14H2,1-2H3
InChIKeySXKLBWHPONWBNP-UHFFFAOYSA-N
XLogP3.66
TPSA80.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine with MolForge

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Related Compounds

N-ethyl-10-methyl-N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 67306001
1-methyl-4-[[10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-yl]amino]cyclohexan-1-ol
CID 168908359
[7-[10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-yl]-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 71294578
N-[2-(2,3-dihydropyridin-3-yl)ethyl]-10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 90084244
8-chloro-5-[3-(trifluoromethoxy)phenyl]-10,14-dioxa-3,4,6,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
CID 89368177
5-(4-fluorophenyl)-10-methyl-N-[(1-methylpiperidin-4-yl)methyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 67305327
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-ethyl-4-[[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]piperidine-1-carboxamide
CID 66748175
6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 117080926
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
N-(7-azaspiro[3.5]nonan-2-yl)-10,12,12-trimethyl-5-[3-(trifluoromethoxy)phenyl]-14-oxa-3,4,6,7,10-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraen-8-amine;ethane
CID 144503363
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine?
The IUPAC name of 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine (CID 71294319) is 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine.
What is the SMILES notation for 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine?
The canonical SMILES for 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine is CCN1CCOc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c(NCC3CCN(C)CC3)c21.
What is the InChIKey of 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine?
The InChIKey is SXKLBWHPONWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O2/c1-3-32-11-12-34-22-19(32)18(27-14-15-7-9-31(2)10-8-15)21-29-28-20(33(21)30-22)16-5-4-6-17(13-16)35-23(24,25)26/h4-6,13,15,27H,3,7-12,14H2,1-2H3.
What are the key properties of 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine?
10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine has a molecular weight of 491.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-[3-(trifluoromethoxy)phenyl]-13-oxa-2,3,5,6,10-pentazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-8-amine is sourced from PubChem (CID 71294319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).