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

C23H25F4N5O4 — CID 118535834

IUPAC4-[4-[1-(3-fluoro-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)cc1F
InChIInChI=1S/C23H25F4N5O4/c1-35-18-3-2-15(12-17(18)24)32-20-16(21(28-32)23(25,26)27)6-9-30(22(20)34)14-4-7-29(8-5-14)31-10-11-36-13-19(31)33/h2-3,12,14H,4-11,13H2,1H3
InChIKeyBICRUKSKPACZLD-UHFFFAOYSA-N
MW511.48 g/mol
LogP2.28
Rot. Bonds4

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

4-[4-[1-(3-fluoro-4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (PubChem CID 118535834) has the molecular formula C23H25F4N5O4 and a molecular weight of 511.48 g/mol. Its IUPAC name is 4-[4-[1-(3-fluoro-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-(3-fluoro-4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
PubChem CID118535834
Molecular FormulaC23H25F4N5O4
Molecular Weight511.48 g/mol
Exact Mass511.18
IUPAC Name4-[4-[1-(3-fluoro-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)cc1F
InChIInChI=1S/C23H25F4N5O4/c1-35-18-3-2-15(12-17(18)24)32-20-16(21(28-32)23(25,26)27)6-9-30(22(20)34)14-4-7-29(8-5-14)31-10-11-36-13-19(31)33/h2-3,12,14H,4-11,13H2,1H3
InChIKeyBICRUKSKPACZLD-UHFFFAOYSA-N
XLogP2.28
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-fluoro-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-(3-fluoro-4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (CID 118535834) is 4-[4-[1-(3-fluoro-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-(3-fluoro-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-(3-fluoro-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)cc1F.
What is the InChIKey of 4-[4-[1-(3-fluoro-4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The InChIKey is BICRUKSKPACZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N5O4/c1-35-18-3-2-15(12-17(18)24)32-20-16(21(28-32)23(25,26)27)6-9-30(22(20)34)14-4-7-29(8-5-14)31-10-11-36-13-19(31)33/h2-3,12,14H,4-11,13H2,1H3.
What are the key properties of 4-[4-[1-(3-fluoro-4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
4-[4-[1-(3-fluoro-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 511.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-fluoro-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 118535834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).