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

C23H23ClFN3O2 — CID 50832655

IUPAC1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone
SMILESCn1nc(COCc2ccc(Cl)cc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C23H23ClFN3O2/c1-27-22-9-10-28(23(29)12-17-3-2-4-19(25)11-17)13-20(22)21(26-27)15-30-14-16-5-7-18(24)8-6-16/h2-8,11H,9-10,12-15H2,1H3
InChIKeyXSYLMGXMPMUNMS-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.06
Rot. Bonds6

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

1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 50832655) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone
PubChem CID50832655
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC Name1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone
SMILESCn1nc(COCc2ccc(Cl)cc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C23H23ClFN3O2/c1-27-22-9-10-28(23(29)12-17-3-2-4-19(25)11-17)13-20(22)21(26-27)15-30-14-16-5-7-18(24)8-6-16/h2-8,11H,9-10,12-15H2,1H3
InChIKeyXSYLMGXMPMUNMS-UHFFFAOYSA-N
XLogP4.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 50832791
1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
CID 53018218
ethyl 2-[[3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]acetate
CID 53018336
N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018360
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018328
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 46390314
N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018252
3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018477
N-[(4-chlorophenyl)methyl]-1-methyl-5-(2-phenylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066501
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018476
5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832650

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone (CID 50832655) is 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone is Cn1nc(COCc2ccc(Cl)cc2)c2c1CCN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is XSYLMGXMPMUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c1-27-22-9-10-28(23(29)12-17-3-2-4-19(25)11-17)13-20(22)21(26-27)15-30-14-16-5-7-18(24)8-6-16/h2-8,11H,9-10,12-15H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone?
1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 427.91 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 50832655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).