4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid

C22H18FN5O3 — CID 45136967

IUPAC4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31)/t18-/m0/s1
InChIKeyPPQXCYGRZJGIHB-SFHVURJKSA-N
MW419.42 g/mol
LogP3.53
Rot. Bonds6

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

4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid (PubChem CID 45136967) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
PubChem CID45136967
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31)/t18-/m0/s1
InChIKeyPPQXCYGRZJGIHB-SFHVURJKSA-N
XLogP3.53
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid (CID 45136967) is 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The InChIKey is PPQXCYGRZJGIHB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31)/t18-/m0/s1.
What are the key properties of 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid has a molecular weight of 419.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 45136967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).