[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

C24H25FN6O3 — CID 172585239

IUPAC[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)OCC(O)c5ccc(F)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25FN6O3/c1-28-14-19(12-26-28)18-4-7-21-22(13-27-31(21)15-18)29-8-10-30(11-9-29)24(33)34-16-23(32)17-2-5-20(25)6-3-17/h2-7,12-15,23,32H,8-11,16H2,1H3
InChIKeyVRBOPDUWIIQCME-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.87
Rot. Bonds5

About [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 172585239) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID172585239
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)OCC(O)c5ccc(F)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25FN6O3/c1-28-14-19(12-26-28)18-4-7-21-22(13-27-31(21)15-18)29-8-10-30(11-9-29)24(33)34-16-23(32)17-2-5-20(25)6-3-17/h2-7,12-15,23,32H,8-11,16H2,1H3
InChIKeyVRBOPDUWIIQCME-UHFFFAOYSA-N
XLogP2.87
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (CID 172585239) is [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is Cn1cc(-c2ccc3c(N4CCN(C(=O)OCC(O)c5ccc(F)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is VRBOPDUWIIQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-28-14-19(12-26-28)18-4-7-21-22(13-27-31(21)15-18)29-8-10-30(11-9-29)24(33)34-16-23(32)17-2-5-20(25)6-3-17/h2-7,12-15,23,32H,8-11,16H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
[2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 172585239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).