(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid

C22H19FN4O2 — CID 178079113

IUPAC(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(=O)O
InChIInChI=1S/C22H19FN4O2/c1-14(22(28)29)25-12-15-2-7-19-20(16-8-10-24-11-9-16)21(26-27(19)13-15)17-3-5-18(23)6-4-17/h2-11,13-14,25H,12H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyYOEDHTGAAADIDM-CQSZACIVSA-N
MW390.42 g/mol
LogP3.77
Rot. Bonds6

About (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid

(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid (PubChem CID 178079113) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
PubChem CID178079113
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(=O)O
InChIInChI=1S/C22H19FN4O2/c1-14(22(28)29)25-12-15-2-7-19-20(16-8-10-24-11-9-16)21(26-27(19)13-15)17-3-5-18(23)6-4-17/h2-11,13-14,25H,12H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyYOEDHTGAAADIDM-CQSZACIVSA-N
XLogP3.77
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178078983
methyl N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]carbamate
CID 178078879
6-(cyclopropylmethyl)-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078966
6-bromo-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078886
2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
CID 178079030
2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178079066
2-(4-fluorophenyl)-6-[[(3S)-3-fluoropiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078968
2-(4-fluorophenyl)-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 178079061
2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol
CID 171811753
[2-(4-chlorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178078943
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
[2-(2,4-difluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178079110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid (CID 178079113) is (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid is C[C@@H](NCc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid?
The InChIKey is YOEDHTGAAADIDM-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14(22(28)29)25-12-15-2-7-19-20(16-8-10-24-11-9-16)21(26-27(19)13-15)17-3-5-18(23)6-4-17/h2-11,13-14,25H,12H2,1H3,(H,28,29)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid?
(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid has a molecular weight of 390.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid is sourced from PubChem (CID 178079113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).