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

C24H25ClN6O2 — CID 172584997

IUPAC3-(4-chlorophenyl)-3-hydroxy-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(O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3
InChIKeyHQXVLDSYVXPWEV-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.16
Rot. Bonds5

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

3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 172584997) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-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-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID172584997
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-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(O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3
InChIKeyHQXVLDSYVXPWEV-UHFFFAOYSA-N
XLogP3.16
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-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-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 172584997) is 3-(4-chlorophenyl)-3-hydroxy-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-hydroxy-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-hydroxy-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(O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HQXVLDSYVXPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-3-hydroxy-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 464.96 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-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 172584997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).