(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]

C21H18ClF3N4 — CID 137012458

IUPAC(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]
SMILESFC(F)(F)c1ccc2c(c1)[C@@]1(CCNc3c1cnn3Cc1ccc(Cl)cc1)CN2
InChIInChI=1S/C21H18ClF3N4/c22-15-4-1-13(2-5-15)11-29-19-17(10-28-29)20(7-8-26-19)12-27-18-6-3-14(9-16(18)20)21(23,24)25/h1-6,9-10,26-27H,7-8,11-12H2/t20-/m1/s1
InChIKeyUDMWITJQZZCKHK-HXUWFJFHSA-N
MW418.85 g/mol
LogP5.13
Rot. Bonds2

About (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]

(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] (PubChem CID 137012458) has the molecular formula C21H18ClF3N4 and a molecular weight of 418.85 g/mol. Its IUPAC name is (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine].

Molecular Properties

Compound Name(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]
PubChem CID137012458
Molecular FormulaC21H18ClF3N4
Molecular Weight418.85 g/mol
Exact Mass418.12
IUPAC Name(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]
SMILESFC(F)(F)c1ccc2c(c1)[C@@]1(CCNc3c1cnn3Cc1ccc(Cl)cc1)CN2
InChIInChI=1S/C21H18ClF3N4/c22-15-4-1-13(2-5-15)11-29-19-17(10-28-29)20(7-8-26-19)12-27-18-6-3-14(9-16(18)20)21(23,24)25/h1-6,9-10,26-27H,7-8,11-12H2/t20-/m1/s1
InChIKeyUDMWITJQZZCKHK-HXUWFJFHSA-N
XLogP5.13
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.85
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]?
The IUPAC name of (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] (CID 137012458) is (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine].
What is the SMILES notation for (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]?
The canonical SMILES for (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] is FC(F)(F)c1ccc2c(c1)[C@@]1(CCNc3c1cnn3Cc1ccc(Cl)cc1)CN2.
What is the InChIKey of (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]?
The InChIKey is UDMWITJQZZCKHK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18ClF3N4/c22-15-4-1-13(2-5-15)11-29-19-17(10-28-29)20(7-8-26-19)12-27-18-6-3-14(9-16(18)20)21(23,24)25/h1-6,9-10,26-27H,7-8,11-12H2/t20-/m1/s1.
What are the key properties of (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]?
(3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] has a molecular weight of 418.85 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine] is sourced from PubChem (CID 137012458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).