2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid

C20H24F3N7O4 — CID 175729827

IUPAC2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c1CCN2CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7O2.C2HF3O2/c1-12-11-27-9-7-24(12)17-13-3-5-23(6-8-26)16(13)14-10-20-25(18(14)21-17)15-2-4-19-22-15;3-2(4,5)1(6)7/h2,4,10,12,26H,3,5-9,11H2,1H3,(H,19,22);(H,6,7)/t12-;/m1./s1
InChIKeyZPYLRKBTTQTIMY-UTONKHPSSA-N
MW483.45 g/mol
LogP1.36
Rot. Bonds4

About 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid

2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 175729827) has the molecular formula C20H24F3N7O4 and a molecular weight of 483.45 g/mol. Its IUPAC name is 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID175729827
Molecular FormulaC20H24F3N7O4
Molecular Weight483.45 g/mol
Exact Mass483.18
IUPAC Name2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c1CCN2CCO.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N7O2.C2HF3O2/c1-12-11-27-9-7-24(12)17-13-3-5-23(6-8-26)16(13)14-10-20-25(18(14)21-17)15-2-4-19-22-15;3-2(4,5)1(6)7/h2,4,10,12,26H,3,5-9,11H2,1H3,(H,19,22);(H,6,7)/t12-;/m1./s1
InChIKeyZPYLRKBTTQTIMY-UTONKHPSSA-N
XLogP1.36
TPSA132.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[1-hydroxy-2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethyl] 2,2,2-trifluoroacetate
CID 169003255
(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine
CID 174179790
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312
(3R)-4-[4-(3-isocyano-3-methylbut-1-ynyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
CID 176647491
methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-pyridin-4-yl-λ6-sulfane
CID 176598553
2-[5-hydroxy-2-methyl-5-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexyl]acetonitrile
CID 166092115
trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 170680002
[7-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]spiro[3.5]nonan-8-yl]methanol
CID 155585683
5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
CID 178015745

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid (CID 175729827) is 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid is C[C@@H]1COCCN1c1nc2c(cnn2-c2ccn[nH]2)c2c1CCN2CCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZPYLRKBTTQTIMY-UTONKHPSSA-N. The full InChI is InChI=1S/C18H23N7O2.C2HF3O2/c1-12-11-27-9-7-24(12)17-13-3-5-23(6-8-26)16(13)14-10-20-25(18(14)21-17)15-2-4-19-22-15;3-2(4,5)1(6)7/h2,4,10,12,26H,3,5-9,11H2,1H3,(H,19,22);(H,6,7)/t12-;/m1./s1.
What are the key properties of 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid?
2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 483.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175729827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).