2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol

C24H24FN3O — CID 21027358

IUPAC2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol
SMILESCCCCC(C)(O)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C24H24FN3O/c1-3-4-14-24(2,29)21-7-5-6-20-22(17-12-15-26-16-13-17)23(27-28(20)21)18-8-10-19(25)11-9-18/h5-13,15-16,29H,3-4,14H2,1-2H3
InChIKeyITEUOQJIZXSCGP-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.60
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol

2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol (PubChem CID 21027358) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol
PubChem CID21027358
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol
SMILESCCCCC(C)(O)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C24H24FN3O/c1-3-4-14-24(2,29)21-7-5-6-20-22(17-12-15-26-16-13-17)23(27-28(20)21)18-8-10-19(25)11-9-18/h5-13,15-16,29H,3-4,14H2,1-2H3
InChIKeyITEUOQJIZXSCGP-UHFFFAOYSA-N
XLogP5.60
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol (CID 21027358) is 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol is CCCCC(C)(O)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol?
The InChIKey is ITEUOQJIZXSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-3-4-14-24(2,29)21-7-5-6-20-22(17-12-15-26-16-13-17)23(27-28(20)21)18-8-10-19(25)11-9-18/h5-13,15-16,29H,3-4,14H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol?
2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol has a molecular weight of 389.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol is sourced from PubChem (CID 21027358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).