2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid

C21H19FN6O3 — CID 140548574

IUPAC2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(CC(=O)O)n1
InChIInChI=1S/C21H19FN6O3/c1-2-17(18-7-8-27(26-18)12-20(29)30)25-21(31)16-9-23-11-19-15(16)10-24-28(19)14-5-3-13(22)4-6-14/h3-11,17H,2,12H2,1H3,(H,25,31)(H,29,30)/t17-/m0/s1
InChIKeySJPIQWCBPOUIBG-KRWDZBQOSA-N
MW422.42 g/mol
LogP2.72
Rot. Bonds7

About 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid

2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid (PubChem CID 140548574) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid
PubChem CID140548574
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(CC(=O)O)n1
InChIInChI=1S/C21H19FN6O3/c1-2-17(18-7-8-27(26-18)12-20(29)30)25-21(31)16-9-23-11-19-15(16)10-24-28(19)14-5-3-13(22)4-6-14/h3-11,17H,2,12H2,1H3,(H,25,31)(H,29,30)/t17-/m0/s1
InChIKeySJPIQWCBPOUIBG-KRWDZBQOSA-N
XLogP2.72
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid (CID 140548574) is 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid?
The InChIKey is SJPIQWCBPOUIBG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-2-17(18-7-8-27(26-18)12-20(29)30)25-21(31)16-9-23-11-19-15(16)10-24-28(19)14-5-3-13(22)4-6-14/h3-11,17H,2,12H2,1H3,(H,25,31)(H,29,30)/t17-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid?
2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid has a molecular weight of 422.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 140548574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).