2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol

C20H17FN4O3 — CID 178079030

IUPAC2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
SMILESNC(c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(O)(O)O
InChIInChI=1S/C20H17FN4O3/c21-15-4-1-13(2-5-15)18-17(12-7-9-23-10-8-12)16-6-3-14(11-25(16)24-18)19(22)20(26,27)28/h1-11,19,26-28H,22H2
InChIKeyQVRKRPQSCVIQLG-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol

2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol (PubChem CID 178079030) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol.

Molecular Properties

Compound Name2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
PubChem CID178079030
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
SMILESNC(c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(O)(O)O
InChIInChI=1S/C20H17FN4O3/c21-15-4-1-13(2-5-15)18-17(12-7-9-23-10-8-12)16-6-3-14(11-25(16)24-18)19(22)20(26,27)28/h1-11,19,26-28H,22H2
InChIKeyQVRKRPQSCVIQLG-UHFFFAOYSA-N
XLogP1.83
TPSA116.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078886
(2S)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178078983
(2R)-2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]propanoic acid
CID 178079113
6-(cyclopropylmethyl)-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078966
methyl N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]carbamate
CID 178078879
cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine
CID 178079073
2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]morpholine
CID 178079124
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-fluorophenyl)-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 178079061
6-fluoro-2,3-diphenylpyrazolo[1,5-a]pyridine
CID 164668697
6-fluoro-2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 178078910
[2-(4-chlorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178078943

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol?
The IUPAC name of 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol (CID 178079030) is 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol.
What is the SMILES notation for 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol?
The canonical SMILES for 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol is NC(c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1)C(O)(O)O.
What is the InChIKey of 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol?
The InChIKey is QVRKRPQSCVIQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-4-1-13(2-5-15)18-17(12-7-9-23-10-8-12)16-6-3-14(11-25(16)24-18)19(22)20(26,27)28/h1-11,19,26-28H,22H2.
What are the key properties of 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol?
2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol has a molecular weight of 380.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol is sourced from PubChem (CID 178079030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).