1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C21H21FN4O — CID 57406640

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H21FN4O/c1-15(16-6-3-2-4-7-16)24-21(27)25-13-5-8-19-20(25)14-23-26(19)18-11-9-17(22)10-12-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyPNZCGHLHBGFVNN-HNNXBMFYSA-N
MW364.42 g/mol
LogP4.23
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57406640) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57406640
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H21FN4O/c1-15(16-6-3-2-4-7-16)24-21(27)25-13-5-8-19-20(25)14-23-26(19)18-11-9-17(22)10-12-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyPNZCGHLHBGFVNN-HNNXBMFYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57406640) is 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is C[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is PNZCGHLHBGFVNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15(16-6-3-2-4-7-16)24-21(27)25-13-5-8-19-20(25)14-23-26(19)18-11-9-17(22)10-12-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57406640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).