6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one

C22H25F2N3O2 — CID 98133458

IUPAC6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1cccc(F)c1F
InChIInChI=1S/C22H25F2N3O2/c23-18-3-1-2-15(21(18)24)12-26-16-6-7-17(26)11-22(29,10-16)13-27-20(28)9-8-19(25-27)14-4-5-14/h1-3,8-9,14,16-17,29H,4-7,10-13H2/t16-,17-/m1/s1
InChIKeyGSJOOMPEHFCUMB-IAGOWNOFSA-N
MW401.46 g/mol
LogP2.96
Rot. Bonds5

About 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one (PubChem CID 98133458) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one
PubChem CID98133458
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1cccc(F)c1F
InChIInChI=1S/C22H25F2N3O2/c23-18-3-1-2-15(21(18)24)12-26-16-6-7-17(26)11-22(29,10-16)13-27-20(28)9-8-19(25-27)14-4-5-14/h1-3,8-9,14,16-17,29H,4-7,10-13H2/t16-,17-/m1/s1
InChIKeyGSJOOMPEHFCUMB-IAGOWNOFSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one (CID 98133458) is 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1cccc(F)c1F.
What is the InChIKey of 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one?
The InChIKey is GSJOOMPEHFCUMB-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-18-3-1-2-15(21(18)24)12-26-16-6-7-17(26)11-22(29,10-16)13-27-20(28)9-8-19(25-27)14-4-5-14/h1-3,8-9,14,16-17,29H,4-7,10-13H2/t16-,17-/m1/s1.
What are the key properties of 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one has a molecular weight of 401.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[(1R,5R)-8-[(2,3-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 98133458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).