2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide

C20H23F3N4O2 — CID 97347013

IUPAC2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)13-27-12-14-4-3-6-16(18(14)25-27)24-19(28)15-5-1-2-7-17(15)26-8-10-29-11-9-26/h1-2,5,7,12,16H,3-4,6,8-11,13H2,(H,24,28)/t16-/m1/s1
InChIKeyQDWMUDUHLUUEST-MRXNPFEDSA-N
MW408.42 g/mol
LogP3.09
Rot. Bonds4

About 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide

2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide (PubChem CID 97347013) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide
PubChem CID97347013
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)13-27-12-14-4-3-6-16(18(14)25-27)24-19(28)15-5-1-2-7-17(15)26-8-10-29-11-9-26/h1-2,5,7,12,16H,3-4,6,8-11,13H2,(H,24,28)/t16-/m1/s1
InChIKeyQDWMUDUHLUUEST-MRXNPFEDSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide?
The IUPAC name of 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide (CID 97347013) is 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide is O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide?
The InChIKey is QDWMUDUHLUUEST-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c21-20(22,23)13-27-12-14-4-3-6-16(18(14)25-27)24-19(28)15-5-1-2-7-17(15)26-8-10-29-11-9-26/h1-2,5,7,12,16H,3-4,6,8-11,13H2,(H,24,28)/t16-/m1/s1.
What are the key properties of 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide?
2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide is sourced from PubChem (CID 97347013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).