10-methyl-N-(1-methylpiperidin-4-yl)-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

C21H24F3N7O2 — CID 53311212

IUPAC10-methyl-N-(1-methylpiperidin-4-yl)-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
SMILESCN1CCC(Nc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c3c2N(C)CCO3)CC1
InChIInChI=1S/C21H24F3N7O2/c1-29-8-6-14(7-9-29)25-18-16-17(32-11-10-30(16)2)20-27-26-19(31(20)28-18)13-4-3-5-15(12-13)33-21(22,23)24/h3-5,12,14H,6-11H2,1-2H3,(H,25,28)
InChIKeyOIOYUXMGVUEQPH-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.02
Rot. Bonds4

About 10-methyl-N-(1-methylpiperidin-4-yl)-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

10-methyl-N-(1-methylpiperidin-4-yl)-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 (PubChem CID 53311212) has the molecular formula C21H24F3N7O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 10-methyl-N-(1-methylpiperidin-4-yl)-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.

Molecular Properties

Compound Name10-methyl-N-(1-methylpiperidin-4-yl)-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
PubChem CID53311212
Molecular FormulaC21H24F3N7O2
Molecular Weight463.46 g/mol
Exact Mass463.19
IUPAC Name10-methyl-N-(1-methylpiperidin-4-yl)-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
SMILESCN1CCC(Nc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c3c2N(C)CCO3)CC1
InChIInChI=1S/C21H24F3N7O2/c1-29-8-6-14(7-9-29)25-18-16-17(32-11-10-30(16)2)20-27-26-19(31(20)28-18)13-4-3-5-15(12-13)33-21(22,23)24/h3-5,12,14H,6-11H2,1-2H3,(H,25,28)
InChIKeyOIOYUXMGVUEQPH-UHFFFAOYSA-N
XLogP3.02
TPSA80.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 10-methyl-N-(1-methylpiperidin-4-yl)-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 with MolForge

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Related Compounds

CID 53252518
CID 53252518
CID 53311131
CID 53311131
[2-(3-Methoxy-phenyl)-ethyl)-[6-(3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-ylmethyl]-amine
CID 11272151
2-[[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268057
7-methoxy-2-[[(2R)-2-methyl-4-phenylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268061
US10822338, Example 57
CID 124194409
US10822338, Example 3
CID 124194978
US10822338, Example 2
CID 124194981
US10822338, Example 11
CID 124194986
US10822338, Example 17
CID 124195076
US10822338, Example 23
CID 124195078
US10822338, Example 1
CID 126481044

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-(1-methylpiperidin-4-yl)-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?
The IUPAC name of 10-methyl-N-(1-methylpiperidin-4-yl)-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 53311212) is 10-methyl-N-(1-methylpiperidin-4-yl)-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.
What is the SMILES notation for 10-methyl-N-(1-methylpiperidin-4-yl)-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?
The canonical SMILES for 10-methyl-N-(1-methylpiperidin-4-yl)-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 is CN1CCC(Nc2nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c3c2N(C)CCO3)CC1.
What is the InChIKey of 10-methyl-N-(1-methylpiperidin-4-yl)-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?
The InChIKey is OIOYUXMGVUEQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2/c1-29-8-6-14(7-9-29)25-18-16-17(32-11-10-30(16)2)20-27-26-19(31(20)28-18)13-4-3-5-15(12-13)33-21(22,23)24/h3-5,12,14H,6-11H2,1-2H3,(H,25,28).
What are the key properties of 10-methyl-N-(1-methylpiperidin-4-yl)-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?
10-methyl-N-(1-methylpiperidin-4-yl)-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 has a molecular weight of 463.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(1-methylpiperidin-4-yl)-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 is sourced from PubChem (CID 53311212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).