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

C24H25ClN6O — CID 172585285

IUPAC3-(4-chlorophenyl)-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)CCc5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O/c1-28-16-20(14-26-28)19-5-8-22-23(15-27-31(22)17-19)29-10-12-30(13-11-29)24(32)9-4-18-2-6-21(25)7-3-18/h2-3,5-8,14-17H,4,9-13H2,1H3
InChIKeyUILOOWILKHFRLT-UHFFFAOYSA-N
MW448.96 g/mol
LogP3.67
Rot. Bonds5

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

3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 172585285) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-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)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID172585285
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name3-(4-chlorophenyl)-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)CCc5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O/c1-28-16-20(14-26-28)19-5-8-22-23(15-27-31(22)17-19)29-10-12-30(13-11-29)24(32)9-4-18-2-6-21(25)7-3-18/h2-3,5-8,14-17H,4,9-13H2,1H3
InChIKeyUILOOWILKHFRLT-UHFFFAOYSA-N
XLogP3.67
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585266
3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585231
(3R)-3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]butan-1-one
CID 172585217
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
3-[4-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 172585274
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301
3-[4-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 172585053
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585105
N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide
CID 172585163
cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 172585309
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-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)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 172585285) is 3-(4-chlorophenyl)-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)-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)-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)CCc5ccc(Cl)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is UILOOWILKHFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-28-16-20(14-26-28)19-5-8-22-23(15-27-31(22)17-19)29-10-12-30(13-11-29)24(32)9-4-18-2-6-21(25)7-3-18/h2-3,5-8,14-17H,4,9-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-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 448.96 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-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 172585285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).