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

C21H19ClF3N5O — CID 138483613

IUPAC4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(Cl)c1N1CCc2c(nc(C3CC3)n2Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H19ClF3N5O/c22-15-9-26-28-20(31)18(15)29-8-7-17-16(11-29)27-19(12-5-6-12)30(17)10-13-3-1-2-4-14(13)21(23,24)25/h1-4,9,12H,5-8,10-11H2,(H,28,31)
InChIKeyOZACJMVXZIQSCG-UHFFFAOYSA-N
MW449.86 g/mol
LogP4.13
Rot. Bonds4

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

4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138483613) has the molecular formula C21H19ClF3N5O and a molecular weight of 449.86 g/mol. Its IUPAC name is 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138483613
Molecular FormulaC21H19ClF3N5O
Molecular Weight449.86 g/mol
Exact Mass449.12
IUPAC Name4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(Cl)c1N1CCc2c(nc(C3CC3)n2Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H19ClF3N5O/c22-15-9-26-28-20(31)18(15)29-8-7-17-16(11-29)27-19(12-5-6-12)30(17)10-13-3-1-2-4-14(13)21(23,24)25/h1-4,9,12H,5-8,10-11H2,(H,28,31)
InChIKeyOZACJMVXZIQSCG-UHFFFAOYSA-N
XLogP4.13
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-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 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138483613) is 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(Cl)c1N1CCc2c(nc(C3CC3)n2Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is OZACJMVXZIQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O/c22-15-9-26-28-20(31)18(15)29-8-7-17-16(11-29)27-19(12-5-6-12)30(17)10-13-3-1-2-4-14(13)21(23,24)25/h1-4,9,12H,5-8,10-11H2,(H,28,31).
What are the key properties of 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 449.86 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-cyclopropyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).