2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine

C24H24FN5 — CID 178079066

IUPAC2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESC[C@@H]1CN(Cc2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)CCN1
InChIInChI=1S/C24H24FN5/c1-17-14-29(13-12-27-17)15-18-2-7-22-23(19-8-10-26-11-9-19)24(28-30(22)16-18)20-3-5-21(25)6-4-20/h2-11,16-17,27H,12-15H2,1H3/t17-/m1/s1
InChIKeyOPNIIGKVTIILNU-QGZVFWFLSA-N
MW401.49 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine

2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (PubChem CID 178079066) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
PubChem CID178079066
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESC[C@@H]1CN(Cc2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)CCN1
InChIInChI=1S/C24H24FN5/c1-17-14-29(13-12-27-17)15-18-2-7-22-23(19-8-10-26-11-9-19)24(28-30(22)16-18)20-3-5-21(25)6-4-20/h2-11,16-17,27H,12-15H2,1H3/t17-/m1/s1
InChIKeyOPNIIGKVTIILNU-QGZVFWFLSA-N
XLogP4.00
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (CID 178079066) is 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is C[C@@H]1CN(Cc2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)CCN1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The InChIKey is OPNIIGKVTIILNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24FN5/c1-17-14-29(13-12-27-17)15-18-2-7-22-23(19-8-10-26-11-9-19)24(28-30(22)16-18)20-3-5-21(25)6-4-20/h2-11,16-17,27H,12-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine has a molecular weight of 401.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178079066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).