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

C25H28N6O2 — CID 172585231

IUPAC3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)cc1
InChIInChI=1S/C25H28N6O2/c1-28-17-21(15-26-28)20-6-9-23-24(16-27-31(23)18-20)29-11-13-30(14-12-29)25(32)10-5-19-3-7-22(33-2)8-4-19/h3-4,6-9,15-18H,5,10-14H2,1-2H3
InChIKeyPZQDMGSFFHMFJK-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.02
Rot. Bonds6

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

3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 172585231) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-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-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID172585231
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)cc1
InChIInChI=1S/C25H28N6O2/c1-28-17-21(15-26-28)20-6-9-23-24(16-27-31(23)18-20)29-11-13-30(14-12-29)25(32)10-5-19-3-7-22(33-2)8-4-19/h3-4,6-9,15-18H,5,10-14H2,1-2H3
InChIKeyPZQDMGSFFHMFJK-UHFFFAOYSA-N
XLogP3.02
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
(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
(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
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
methyl (2S)-3-(4-methoxyphenyl)-2-[[2-[1-[3-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]piperidin-4-yl]acetyl]amino]propanoate
CID 139497509
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[4-(1,1-difluoroethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585318
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172584987

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-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-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 172585231) is 3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is PZQDMGSFFHMFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-28-17-21(15-26-28)20-6-9-23-24(16-27-31(23)18-20)29-11-13-30(14-12-29)25(32)10-5-19-3-7-22(33-2)8-4-19/h3-4,6-9,15-18H,5,10-14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-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 444.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-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 172585231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).