1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one

C23H19F2N3O4 — CID 66602340

IUPAC1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1c(O)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2Cc1ccccc1
InChIInChI=1S/C23H19F2N3O4/c24-23(25)32-17-9-6-14(10-18(17)31-15-7-8-15)20-21(29)19-16(11-26-27-22(19)30)28(20)12-13-4-2-1-3-5-13/h1-6,9-11,15,23,29H,7-8,12H2,(H,27,30)
InChIKeyRCSLVRLRIITCIB-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.29
Rot. Bonds7

About 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one

1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 66602340) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one
PubChem CID66602340
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1c(O)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2Cc1ccccc1
InChIInChI=1S/C23H19F2N3O4/c24-23(25)32-17-9-6-14(10-18(17)31-15-7-8-15)20-21(29)19-16(11-26-27-22(19)30)28(20)12-13-4-2-1-3-5-13/h1-6,9-11,15,23,29H,7-8,12H2,(H,27,30)
InChIKeyRCSLVRLRIITCIB-UHFFFAOYSA-N
XLogP4.29
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one (CID 66602340) is 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2c1c(O)c(-c1ccc(OC(F)F)c(OC3CC3)c1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is RCSLVRLRIITCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c24-23(25)32-17-9-6-14(10-18(17)31-15-7-8-15)20-21(29)19-16(11-26-27-22(19)30)28(20)12-13-4-2-1-3-5-13/h1-6,9-11,15,23,29H,7-8,12H2,(H,27,30).
What are the key properties of 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one?
1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 439.42 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-3-hydroxy-5H-pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 66602340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).