1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C20H22F3N3O2 — CID 25014500

IUPAC1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESFC(F)(F)c1nn(-c2ccc3c(c2)C[C@@H](N2CCOCC2)C3)c2c1CCOC2
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)19-17-3-6-28-12-18(17)26(24-19)15-2-1-13-9-16(11-14(13)10-15)25-4-7-27-8-5-25/h1-2,10,16H,3-9,11-12H2/t16-/m0/s1
InChIKeyWWHFOKUPRNWHSG-INIZCTEOSA-N
MW393.41 g/mol
LogP2.76
Rot. Bonds2

About 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 25014500) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID25014500
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESFC(F)(F)c1nn(-c2ccc3c(c2)C[C@@H](N2CCOCC2)C3)c2c1CCOC2
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)19-17-3-6-28-12-18(17)26(24-19)15-2-1-13-9-16(11-14(13)10-15)25-4-7-27-8-5-25/h1-2,10,16H,3-9,11-12H2/t16-/m0/s1
InChIKeyWWHFOKUPRNWHSG-INIZCTEOSA-N
XLogP2.76
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 25014500) is 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is FC(F)(F)c1nn(-c2ccc3c(c2)C[C@@H](N2CCOCC2)C3)c2c1CCOC2.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is WWHFOKUPRNWHSG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)19-17-3-6-28-12-18(17)26(24-19)15-2-1-13-9-16(11-14(13)10-15)25-4-7-27-8-5-25/h1-2,10,16H,3-9,11-12H2/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 393.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-5-yl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 25014500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).