1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone

C24H26FN3O2 — CID 50832629

IUPAC1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1
InChIInChI=1S/C24H26FN3O2/c1-17-7-9-18(10-8-17)13-24(29)28-12-11-23-20(14-28)22(26-27(23)2)16-30-15-19-5-3-4-6-21(19)25/h3-10H,11-16H2,1-2H3
InChIKeyCFZGSNYGOJZFAC-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.71
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone

1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone (PubChem CID 50832629) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
PubChem CID50832629
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1
InChIInChI=1S/C24H26FN3O2/c1-17-7-9-18(10-8-17)13-24(29)28-12-11-23-20(14-28)22(26-27(23)2)16-30-15-19-5-3-4-6-21(19)25/h3-10H,11-16H2,1-2H3
InChIKeyCFZGSNYGOJZFAC-UHFFFAOYSA-N
XLogP3.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one
CID 46390893
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 50832540
US11028083, Example 9a
CID 139451388
ethyl 4-({[3-oxo-2-(pyrrolidin-1-ylcarbonyl)-3,4-dihydro-2H-1,4-benzothiazin-6-yl]sulfonyl}amino)benzoate
CID 50832315
(2,6-difluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832416
(4-fluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832448
(4-chlorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832524
(3-fluorophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832695
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50832705
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 50832717
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 50832730
(3-{[(2-Fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridin-5-YL)(phenyl)methanone
CID 50832731

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone (CID 50832629) is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is CFZGSNYGOJZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-17-7-9-18(10-8-17)13-24(29)28-12-11-23-20(14-28)22(26-27(23)2)16-30-15-19-5-3-4-6-21(19)25/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone?
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 407.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 50832629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).