4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C22H25F3N4O4 — CID 25014588

IUPAC4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c2cc(=O)n1CCCN1CCOCC1
InChIInChI=1S/C22H25F3N4O4/c1-2-18-20-17(14-19(30)28(18)9-3-8-27-10-12-32-13-11-27)26-29(21(20)31)15-4-6-16(7-5-15)33-22(23,24)25/h4-7,14,26H,2-3,8-13H2,1H3
InChIKeyHKCHGZRTXYMUOB-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.66
Rot. Bonds7

About 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 25014588) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID25014588
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c2cc(=O)n1CCCN1CCOCC1
InChIInChI=1S/C22H25F3N4O4/c1-2-18-20-17(14-19(30)28(18)9-3-8-27-10-12-32-13-11-27)26-29(21(20)31)15-4-6-16(7-5-15)33-22(23,24)25/h4-7,14,26H,2-3,8-13H2,1H3
InChIKeyHKCHGZRTXYMUOB-UHFFFAOYSA-N
XLogP2.66
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 25014588) is 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCc1c2c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c2cc(=O)n1CCCN1CCOCC1.
What is the InChIKey of 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is HKCHGZRTXYMUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-2-18-20-17(14-19(30)28(18)9-3-8-27-10-12-32-13-11-27)26-29(21(20)31)15-4-6-16(7-5-15)33-22(23,24)25/h4-7,14,26H,2-3,8-13H2,1H3.
What are the key properties of 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 466.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 25014588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).