1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H29ClN4O2 — CID 150090717

IUPAC1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCCCC2)C1
InChIInChI=1S/C22H29ClN4O2/c1-16(28)26-12-9-21-20(15-26)22(17-5-7-18(23)8-6-17)24-27(21)14-19(29)13-25-10-3-2-4-11-25/h5-8,19,29H,2-4,9-15H2,1H3
InChIKeyDTDYOUHABJSGOZ-UHFFFAOYSA-N
MW416.95 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 150090717) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID150090717
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCCCC2)C1
InChIInChI=1S/C22H29ClN4O2/c1-16(28)26-12-9-21-20(15-26)22(17-5-7-18(23)8-6-17)24-27(21)14-19(29)13-25-10-3-2-4-11-25/h5-8,19,29H,2-4,9-15H2,1H3
InChIKeyDTDYOUHABJSGOZ-UHFFFAOYSA-N
XLogP2.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 150090717) is 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCCCC2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is DTDYOUHABJSGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-16(28)26-12-9-21-20(15-26)22(17-5-7-18(23)8-6-17)24-27(21)14-19(29)13-25-10-3-2-4-11-25/h5-8,19,29H,2-4,9-15H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 416.95 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-(2-hydroxy-3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 150090717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).