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

C20H18FN3O — CID 70450021

IUPAC[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCn1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H18FN3O/c1-23-18-11-12-24(20(25)15-5-3-2-4-6-15)13-17(18)19(22-23)14-7-9-16(21)10-8-14/h2-10H,11-13H2,1H3
InChIKeyLCQFXTJBHCXEMV-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.42
Rot. Bonds2

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

[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (PubChem CID 70450021) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
PubChem CID70450021
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCn1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H18FN3O/c1-23-18-11-12-24(20(25)15-5-3-2-4-6-15)13-17(18)19(22-23)14-7-9-16(21)10-8-14/h2-10H,11-13H2,1H3
InChIKeyLCQFXTJBHCXEMV-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018544
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylphenyl)methanone
CID 53018570
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018978
1-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 76850843
[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 53018752
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-fluorophenyl)methanone
CID 53018534
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 83275732
[3-(dimethylamino)phenyl]-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042703
[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 53019518
2-hydroxy-1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanone
CID 154567137
(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)-(1H-pyrazol-5-yl)methanone
CID 154566533
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 53018566

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (CID 70450021) is [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is Cn1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is LCQFXTJBHCXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-23-18-11-12-24(20(25)15-5-3-2-4-6-15)13-17(18)19(22-23)14-7-9-16(21)10-8-14/h2-10H,11-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 335.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 70450021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).