N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H24F3N5O — CID 156838148

IUPACN-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NC3c4ccccc4CCC3N3C4CCC3COC4)ncnc2[nH]1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)19-9-17-21(29-19)27-12-28-22(17)30-20-16-4-2-1-3-13(16)5-8-18(20)31-14-6-7-15(31)11-32-10-14/h1-4,9,12,14-15,18,20H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyFYTYLMWPEHWBGE-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.31
Rot. Bonds3

About N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156838148) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156838148
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC NameN-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NC3c4ccccc4CCC3N3C4CCC3COC4)ncnc2[nH]1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)19-9-17-21(29-19)27-12-28-22(17)30-20-16-4-2-1-3-13(16)5-8-18(20)31-14-6-7-15(31)11-32-10-14/h1-4,9,12,14-15,18,20H,5-8,10-11H2,(H2,27,28,29,30)
InChIKeyFYTYLMWPEHWBGE-UHFFFAOYSA-N
XLogP4.31
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1S,2S)-2-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838054
6-methyl-N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168244
N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838080
N-[(1R,2S)-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837959
N-[2-[(3aR,8aR)-3a-methyl-3,4,6,7,8,8a-hexahydro-1H-oxepino[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837882
1-[1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]imidazole-4-carbonitrile
CID 156837761
N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168226
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane;6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 163236344
N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 163236314
N-[(3R,4S)-3-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837757
4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-ol
CID 167482548
1-[4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-yl]azetidine-3-carbonitrile
CID 156838162

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156838148) is N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NC3c4ccccc4CCC3N3C4CCC3COC4)ncnc2[nH]1.
What is the InChIKey of N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FYTYLMWPEHWBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c24-23(25,26)19-9-17-21(29-19)27-12-28-22(17)30-20-16-4-2-1-3-13(16)5-8-18(20)31-14-6-7-15(31)11-32-10-14/h1-4,9,12,14-15,18,20H,5-8,10-11H2,(H2,27,28,29,30).
What are the key properties of N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 443.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156838148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).