7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

C26H24FN5O — CID 42635652

IUPAC7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCC[C@@H](c1ccc(F)cc1)n1cccc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2
InChIInChI=1S/C26H24FN5O/c1-4-22(18-7-10-20(27)11-8-18)32-13-5-6-21-25(29-30-26(21)32)19-9-12-23(24(14-19)33-3)31-15-17(2)28-16-31/h5-16,22H,4H2,1-3H3/t22-/m0/s1
InChIKeyYPWCSBQTBQMQIT-QFIPXVFZSA-N
MW441.51 g/mol
LogP5.69
Rot. Bonds6

About 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 42635652) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
PubChem CID42635652
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCC[C@@H](c1ccc(F)cc1)n1cccc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2
InChIInChI=1S/C26H24FN5O/c1-4-22(18-7-10-20(27)11-8-18)32-13-5-6-21-25(29-30-26(21)32)19-9-12-23(24(14-19)33-3)31-15-17(2)28-16-31/h5-16,22H,4H2,1-3H3/t22-/m0/s1
InChIKeyYPWCSBQTBQMQIT-QFIPXVFZSA-N
XLogP5.69
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 42635652) is 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is CC[C@@H](c1ccc(F)cc1)n1cccc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.
What is the InChIKey of 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The InChIKey is YPWCSBQTBQMQIT-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-4-22(18-7-10-20(27)11-8-18)32-13-5-6-21-25(29-30-26(21)32)19-9-12-23(24(14-19)33-3)31-15-17(2)28-16-31/h5-16,22H,4H2,1-3H3/t22-/m0/s1.
What are the key properties of 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 441.51 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 42635652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).