3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

C24H24FN9 — CID 172585226

IUPAC3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(N4CCN(c5ncnn5Cc5ccc(F)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24FN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-33(22)16-19)31-8-10-32(11-9-31)24-26-17-29-34(24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3
InChIKeyLSHVRCYKOKZPBK-UHFFFAOYSA-N
MW457.52 g/mol
LogP2.84
Rot. Bonds5

About 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine

3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 172585226) has the molecular formula C24H24FN9 and a molecular weight of 457.52 g/mol. Its IUPAC name is 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID172585226
Molecular FormulaC24H24FN9
Molecular Weight457.52 g/mol
Exact Mass457.21
IUPAC Name3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc3c(N4CCN(c5ncnn5Cc5ccc(F)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24FN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-33(22)16-19)31-8-10-32(11-9-31)24-26-17-29-34(24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3
InChIKeyLSHVRCYKOKZPBK-UHFFFAOYSA-N
XLogP2.84
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 172585226) is 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is Cn1cc(-c2ccc3c(N4CCN(c5ncnn5Cc5ccc(F)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is LSHVRCYKOKZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9/c1-30-15-20(12-27-30)19-4-7-22-23(13-28-33(22)16-19)31-8-10-32(11-9-31)24-26-17-29-34(24)14-18-2-5-21(25)6-3-18/h2-7,12-13,15-17H,8-11,14H2,1H3.
What are the key properties of 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine?
3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 457.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 172585226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).