4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one

C24H24ClF4N5O2 — CID 167528623

IUPAC4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCc3ncc(Cc4ccc(F)cc4C(F)(F)F)n3CC2)cnn1C1CCCCO1
InChIInChI=1S/C24H24ClF4N5O2/c25-22-19(14-31-34(23(22)35)21-3-1-2-10-36-21)32-7-6-20-30-13-17(33(20)9-8-32)11-15-4-5-16(26)12-18(15)24(27,28)29/h4-5,12-14,21H,1-3,6-11H2
InChIKeyVHZGISOUARMTSQ-UHFFFAOYSA-N
MW525.93 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 167528623) has the molecular formula C24H24ClF4N5O2 and a molecular weight of 525.93 g/mol. Its IUPAC name is 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
PubChem CID167528623
Molecular FormulaC24H24ClF4N5O2
Molecular Weight525.93 g/mol
Exact Mass525.16
IUPAC Name4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCc3ncc(Cc4ccc(F)cc4C(F)(F)F)n3CC2)cnn1C1CCCCO1
InChIInChI=1S/C24H24ClF4N5O2/c25-22-19(14-31-34(23(22)35)21-3-1-2-10-36-21)32-7-6-20-30-13-17(33(20)9-8-32)11-15-4-5-16(26)12-18(15)24(27,28)29/h4-5,12-14,21H,1-3,6-11H2
InChIKeyVHZGISOUARMTSQ-UHFFFAOYSA-N
XLogP4.60
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.93
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one 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

4-chloro-2-(oxan-2-yl)-5-[3-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridazin-3-one
CID 169023491
5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471564
7-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-4-[4-fluoro-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one
CID 146448286
4-chloro-2-(oxan-2-yl)-5-[4-[[6-oxo-1-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 138471960
4-chloro-2-(oxan-2-yl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pyridazin-3-one
CID 138472297
4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
CID 138472198
4-chloro-2-(oxan-2-yl)-5-[1-[[2-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pyridazin-3-one
CID 138483946
4-chloro-5-[4-[(2-ethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 167068745
4-chloro-5-[4-[(1S)-1-(2-ethyl-3-pyridinyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 164771779
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 155698008
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one (CID 167528623) is 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(N2CCc3ncc(Cc4ccc(F)cc4C(F)(F)F)n3CC2)cnn1C1CCCCO1.
What is the InChIKey of 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is VHZGISOUARMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF4N5O2/c25-22-19(14-31-34(23(22)35)21-3-1-2-10-36-21)32-7-6-20-30-13-17(33(20)9-8-32)11-15-4-5-16(26)12-18(15)24(27,28)29/h4-5,12-14,21H,1-3,6-11H2.
What are the key properties of 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 525.93 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 167528623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).