1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C31H38Cl2N6O3 — CID 10211092

IUPAC1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCC(C3NN(c4ccc(Cl)cc4)CO3)CC2)C1
InChIInChI=1S/C31H38Cl2N6O3/c1-20-15-23(3-8-28(20)33)30-27-18-37(21(2)40)14-11-29(27)38(34-30)17-26(41)16-36-12-9-22(10-13-36)31-35-39(19-42-31)25-6-4-24(32)5-7-25/h3-8,15,22,26,31,35,41H,9-14,16-19H2,1-2H3
InChIKeyAXQWOHYURFVIQU-UHFFFAOYSA-N
MW613.59 g/mol
LogP4.47
Rot. Bonds7

About 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10211092) has the molecular formula C31H38Cl2N6O3 and a molecular weight of 613.59 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10211092
Molecular FormulaC31H38Cl2N6O3
Molecular Weight613.59 g/mol
Exact Mass612.24
IUPAC Name1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCC(C3NN(c4ccc(Cl)cc4)CO3)CC2)C1
InChIInChI=1S/C31H38Cl2N6O3/c1-20-15-23(3-8-28(20)33)30-27-18-37(21(2)40)14-11-29(27)38(34-30)17-26(41)16-36-12-9-22(10-13-36)31-35-39(19-42-31)25-6-4-24(32)5-7-25/h3-8,15,22,26,31,35,41H,9-14,16-19H2,1-2H3
InChIKeyAXQWOHYURFVIQU-UHFFFAOYSA-N
XLogP4.47
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10211092) is 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCC(C3NN(c4ccc(Cl)cc4)CO3)CC2)C1.
What is the InChIKey of 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is AXQWOHYURFVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38Cl2N6O3/c1-20-15-23(3-8-28(20)33)30-27-18-37(21(2)40)14-11-29(27)38(34-30)17-26(41)16-36-12-9-22(10-13-36)31-35-39(19-42-31)25-6-4-24(32)5-7-25/h3-8,15,22,26,31,35,41H,9-14,16-19H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 613.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-methylphenyl)-1-[3-[4-[4-(4-chlorophenyl)-1,3,4-oxadiazolidin-2-yl]piperidin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10211092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).