1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C28H30Cl2F3N5O3 — CID 10211060

IUPAC1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(Oc3c(Cl)cncc3Cl)CC2)C1
InChIInChI=1S/C28H30Cl2F3N5O3/c1-17(39)37-11-8-25-22(16-37)26(18-2-4-19(5-3-18)28(31,32)33)35-38(25)15-20(40)14-36-9-6-21(7-10-36)41-27-23(29)12-34-13-24(27)30/h2-5,12-13,20-21,40H,6-11,14-16H2,1H3
InChIKeyZOTAYVJUYBDAHN-UHFFFAOYSA-N
MW612.48 g/mol
LogP5.08
Rot. Bonds7

About 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10211060) has the molecular formula C28H30Cl2F3N5O3 and a molecular weight of 612.48 g/mol. Its IUPAC name is 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10211060
Molecular FormulaC28H30Cl2F3N5O3
Molecular Weight612.48 g/mol
Exact Mass611.17
IUPAC Name1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(Oc3c(Cl)cncc3Cl)CC2)C1
InChIInChI=1S/C28H30Cl2F3N5O3/c1-17(39)37-11-8-25-22(16-37)26(18-2-4-19(5-3-18)28(31,32)33)35-38(25)15-20(40)14-36-9-6-21(7-10-36)41-27-23(29)12-34-13-24(27)30/h2-5,12-13,20-21,40H,6-11,14-16H2,1H3
InChIKeyZOTAYVJUYBDAHN-UHFFFAOYSA-N
XLogP5.08
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-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-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10211060) is 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(Oc3c(Cl)cncc3Cl)CC2)C1.
What is the InChIKey of 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ZOTAYVJUYBDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2F3N5O3/c1-17(39)37-11-8-25-22(16-37)26(18-2-4-19(5-3-18)28(31,32)33)35-38(25)15-20(40)14-36-9-6-21(7-10-36)41-27-23(29)12-34-13-24(27)30/h2-5,12-13,20-21,40H,6-11,14-16H2,1H3.
What are the key properties of 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 612.48 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-[(3,5-dichloro-4-pyridinyl)oxy]piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).