3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

C24H24ClFN6O — CID 172585132

IUPAC3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)CC(F)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24ClFN6O/c1-29-15-19(13-27-29)18-4-7-22-23(14-28-32(22)16-18)30-8-10-31(11-9-30)24(33)12-21(26)17-2-5-20(25)6-3-17/h2-7,13-16,21H,8-12H2,1H3
InChIKeyJTWHFYRTCNJHCL-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.14
Rot. Bonds5

About 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 172585132) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID172585132
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC Name3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)CC(F)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H24ClFN6O/c1-29-15-19(13-27-29)18-4-7-22-23(14-28-32(22)16-18)30-8-10-31(11-9-30)24(33)12-21(26)17-2-5-20(25)6-3-17/h2-7,13-16,21H,8-12H2,1H3
InChIKeyJTWHFYRTCNJHCL-UHFFFAOYSA-N
XLogP4.14
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 172585132) is 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is Cn1cc(-c2ccc3c(N4CCN(C(=O)CC(F)c5ccc(Cl)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is JTWHFYRTCNJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c1-29-15-19(13-27-29)18-4-7-22-23(14-28-32(22)16-18)30-8-10-31(11-9-30)24(33)12-21(26)17-2-5-20(25)6-3-17/h2-7,13-16,21H,8-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 466.95 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 172585132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).