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

C23H23ClF3N5O3 — CID 138483946

About 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

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 (PubChem CID 138483946) has the molecular formula C23H23ClF3N5O3 and a molecular weight of 509.92 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 138483946
• Molecular Formula: C23H23ClF3N5O3
• Molecular Weight: 509.92 g/mol
• Exact Mass: 509.14
• IUPAC Name: 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
• SMILES: O=c1c(Cl)c(N2CCc3c(ncn3Cc3ccccc3OC(F)(F)F)C2)cnn1C1CCCCO1
• InChI: InChI=1S/C23H23ClF3N5O3/c24-21-18(11-29-32(22(21)33)20-7-3-4-10-34-20)30-9-8-17-16(13-30)28-14-31(17)12-15-5-1-2-6-19(15)35-23(25,26)27/h1-2,5-6,11,14,20H,3-4,7-10,12-13H2
• InChIKey: CHEOYJFNNMJZEQ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 74.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.92
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is O=c1c(Cl)c(N2CCc3c(ncn3Cc3ccccc3OC(F)(F)F)C2)cnn1C1CCCCO1.

What is the InChIKey of 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?

The InChIKey is CHEOYJFNNMJZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O3/c24-21-18(11-29-32(22(21)33)20-7-3-4-10-34-20)30-9-8-17-16(13-30)28-14-31(17)12-15-5-1-2-6-19(15)35-23(25,26)27/h1-2,5-6,11,14,20H,3-4,7-10,12-13H2.

What are the key properties of 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?

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 has a molecular weight of 509.92 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 138483946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).