2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

C21H19FN6O2 — CID 10272700

IUPAC2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C21H19FN6O2/c22-15-5-2-13(3-6-15)19-18(16-8-10-25-21(26-16)24-9-1-11-29)17-7-4-14(20(23)30)12-28(17)27-19/h2-8,10,12,29H,1,9,11H2,(H2,23,30)(H,24,25,26)
InChIKeyHVYANQUWASOZQI-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.49
Rot. Bonds7

About 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 10272700) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID10272700
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C21H19FN6O2/c22-15-5-2-13(3-6-15)19-18(16-8-10-25-21(26-16)24-9-1-11-29)17-7-4-14(20(23)30)12-28(17)27-19/h2-8,10,12,29H,1,9,11H2,(H2,23,30)(H,24,25,26)
InChIKeyHVYANQUWASOZQI-UHFFFAOYSA-N
XLogP2.49
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 10272700) is 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is NC(=O)c1ccc2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nn2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is HVYANQUWASOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c22-15-5-2-13(3-6-15)19-18(16-8-10-25-21(26-16)24-9-1-11-29)17-7-4-14(20(23)30)12-28(17)27-19/h2-8,10,12,29H,1,9,11H2,(H2,23,30)(H,24,25,26).
What are the key properties of 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-(3-hydroxypropylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 10272700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).