5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C20H19ClF3N5O2 — CID 138471701

IUPAC5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCC(c1ccccc1C(F)(F)F)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H19ClF3N5O2/c1-31-10-17(12-4-2-3-5-13(12)20(22,23)24)29-11-25-14-9-28(7-6-15(14)29)16-8-26-27-19(30)18(16)21/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,27,30)
InChIKeyQMTMOWKWLZXOQP-UHFFFAOYSA-N
MW453.85 g/mol
LogP3.44
Rot. Bonds5

About 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138471701) has the molecular formula C20H19ClF3N5O2 and a molecular weight of 453.85 g/mol. Its IUPAC name is 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138471701
Molecular FormulaC20H19ClF3N5O2
Molecular Weight453.85 g/mol
Exact Mass453.12
IUPAC Name5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCC(c1ccccc1C(F)(F)F)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H19ClF3N5O2/c1-31-10-17(12-4-2-3-5-13(12)20(22,23)24)29-11-25-14-9-28(7-6-15(14)29)16-8-26-27-19(30)18(16)21/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,27,30)
InChIKeyQMTMOWKWLZXOQP-UHFFFAOYSA-N
XLogP3.44
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138471701) is 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is COCC(c1ccccc1C(F)(F)F)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is QMTMOWKWLZXOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2/c1-31-10-17(12-4-2-3-5-13(12)20(22,23)24)29-11-25-14-9-28(7-6-15(14)29)16-8-26-27-19(30)18(16)21/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,27,30).
What are the key properties of 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 453.85 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).