5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene

C20H19ClF3N5O — CID 142547065

IUPAC5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene
SMILESC=C.O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1Cl
InChIInChI=1S/C18H15ClF3N5O.C2H4/c19-16-15(7-24-25-17(16)28)26-6-5-14-13(9-26)23-10-27(14)8-11-1-3-12(4-2-11)18(20,21)22;1-2/h1-4,7,10H,5-6,8-9H2,(H,25,28);1-2H2
InChIKeySEXGLVLIPFGYRC-UHFFFAOYSA-N
MW437.85 g/mol
LogP4.05
Rot. Bonds3

About 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene

5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene (PubChem CID 142547065) has the molecular formula C20H19ClF3N5O and a molecular weight of 437.85 g/mol. Its IUPAC name is 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene.

Molecular Properties

Compound Name5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene
PubChem CID142547065
Molecular FormulaC20H19ClF3N5O
Molecular Weight437.85 g/mol
Exact Mass437.12
IUPAC Name5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene
SMILESC=C.O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1Cl
InChIInChI=1S/C18H15ClF3N5O.C2H4/c19-16-15(7-24-25-17(16)28)26-6-5-14-13(9-26)23-10-27(14)8-11-1-3-12(4-2-11)18(20,21)22;1-2/h1-4,7,10H,5-6,8-9H2,(H,25,28);1-2H2
InChIKeySEXGLVLIPFGYRC-UHFFFAOYSA-N
XLogP4.05
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[3-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pyrrole-2,5-dione
CID 168285248
5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 172554475
5-chloro-4-[3-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
CID 172554480
(E)-N-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 176734257
4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 138471597
5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471636
5-chloro-4-[1-[(1S)-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471698
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
5-chloro-4-[1-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471781
5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471782
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 138471875
5-chloro-4-[1-[2-(trifluoromethyl)pyridin-3-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene?
The IUPAC name of 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene (CID 142547065) is 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene.
What is the SMILES notation for 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene?
The canonical SMILES for 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene is C=C.O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene?
The InChIKey is SEXGLVLIPFGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5O.C2H4/c19-16-15(7-24-25-17(16)28)26-6-5-14-13(9-26)23-10-27(14)8-11-1-3-12(4-2-11)18(20,21)22;1-2/h1-4,7,10H,5-6,8-9H2,(H,25,28);1-2H2.
What are the key properties of 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene?
5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene has a molecular weight of 437.85 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene is sourced from PubChem (CID 142547065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).