7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C23H25F3N6O5 — CID 118535837

IUPAC7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O
InChIInChI=1S/C23H25F3N6O5/c24-23(25,26)37-16-3-1-15(2-4-16)32-20-17(19(28-32)21(27)34)7-10-30(22(20)35)14-5-8-29(9-6-14)31-11-12-36-13-18(31)33/h1-4,14H,5-13H2,(H2,27,34)
InChIKeyYVVAPRJVYSYPJY-UHFFFAOYSA-N
MW522.48 g/mol
LogP1.11
Rot. Bonds5

About 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118535837) has the molecular formula C23H25F3N6O5 and a molecular weight of 522.48 g/mol. Its IUPAC name is 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118535837
Molecular FormulaC23H25F3N6O5
Molecular Weight522.48 g/mol
Exact Mass522.18
IUPAC Name7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O
InChIInChI=1S/C23H25F3N6O5/c24-23(25,26)37-16-3-1-15(2-4-16)32-20-17(19(28-32)21(27)34)7-10-30(22(20)35)14-5-8-29(9-6-14)31-11-12-36-13-18(31)33/h1-4,14H,5-13H2,(H2,27,34)
InChIKeyYVVAPRJVYSYPJY-UHFFFAOYSA-N
XLogP1.11
TPSA123.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118535837) is 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O.
What is the InChIKey of 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YVVAPRJVYSYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O5/c24-23(25,26)37-16-3-1-15(2-4-16)32-20-17(19(28-32)21(27)34)7-10-30(22(20)35)14-5-8-29(9-6-14)31-11-12-36-13-18(31)33/h1-4,14H,5-13H2,(H2,27,34).
What are the key properties of 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 522.48 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118535837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).