1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C19H16FN5O2S — CID 66727496

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1nc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)co1
InChIInChI=1S/C19H16FN5O2S/c1-11(16-10-27-19(24-16)28-2)23-18(26)15-7-21-9-17-14(15)8-22-25(17)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyRCWRIVOPXLAXGT-NSHDSACASA-N
MW397.44 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 66727496) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID66727496
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCSc1nc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)co1
InChIInChI=1S/C19H16FN5O2S/c1-11(16-10-27-19(24-16)28-2)23-18(26)15-7-21-9-17-14(15)8-22-25(17)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyRCWRIVOPXLAXGT-NSHDSACASA-N
XLogP3.76
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 66727496) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CSc1nc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)co1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is RCWRIVOPXLAXGT-NSHDSACASA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-11(16-10-27-19(24-16)28-2)23-18(26)15-7-21-9-17-14(15)8-22-25(17)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,23,26)/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 66727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).