1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one

C21H24N4O3 — CID 172887224

IUPAC1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(=O)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C21H24N4O3/c1-2-20(26)24-10-11-28-15-18(24)12-21(27)23-9-8-19-16(14-23)13-22-25(19)17-6-4-3-5-7-17/h2-7,13,18H,1,8-12,14-15H2
InChIKeyGSZORCNUHZJVQM-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.56
Rot. Bonds4

About 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one

1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 172887224) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID172887224
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(=O)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C21H24N4O3/c1-2-20(26)24-10-11-28-15-18(24)12-21(27)23-9-8-19-16(14-23)13-22-25(19)17-6-4-3-5-7-17/h2-7,13,18H,1,8-12,14-15H2
InChIKeyGSZORCNUHZJVQM-UHFFFAOYSA-N
XLogP1.56
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one (CID 172887224) is 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOCC1CC(=O)N1CCc2c(cnn2-c2ccccc2)C1.
What is the InChIKey of 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is GSZORCNUHZJVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-20(26)24-10-11-28-15-18(24)12-21(27)23-9-8-19-16(14-23)13-22-25(19)17-6-4-3-5-7-17/h2-7,13,18H,1,8-12,14-15H2.
What are the key properties of 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one?
1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 380.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-oxo-2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 172887224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).