4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

C23H26F3N5O4 — CID 118535848

IUPAC4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(C2CCN(N4CCOCC4=O)CC2)CC3)cc1
InChIInChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3
InChIKeyYDFWBJADPOMKIU-UHFFFAOYSA-N
MW493.49 g/mol
LogP2.14
Rot. Bonds4

About 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (PubChem CID 118535848) has the molecular formula C23H26F3N5O4 and a molecular weight of 493.49 g/mol. Its IUPAC name is 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
PubChem CID118535848
Molecular FormulaC23H26F3N5O4
Molecular Weight493.49 g/mol
Exact Mass493.19
IUPAC Name4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(C2CCN(N4CCOCC4=O)CC2)CC3)cc1
InChIInChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3
InChIKeyYDFWBJADPOMKIU-UHFFFAOYSA-N
XLogP2.14
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The IUPAC name of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (CID 118535848) is 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The canonical SMILES for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(C2CCN(N4CCOCC4=O)CC2)CC3)cc1.
What is the InChIKey of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The InChIKey is YDFWBJADPOMKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3.
What are the key properties of 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one has a molecular weight of 493.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is sourced from PubChem (CID 118535848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).