[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone

C27H24FN3O2 — CID 89444210

IUPAC[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4ccc(F)cc4)nn3Cc3ccccc3)C2)cc1
InChIInChI=1S/C27H24FN3O2/c1-33-23-13-9-21(10-14-23)27(32)30-16-15-25-24(18-30)26(20-7-11-22(28)12-8-20)29-31(25)17-19-5-3-2-4-6-19/h2-14H,15-18H2,1H3
InChIKeyJLSBYPJDVZCFLF-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.94
Rot. Bonds5

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

[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 89444210) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
PubChem CID89444210
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(c(-c4ccc(F)cc4)nn3Cc3ccccc3)C2)cc1
InChIInChI=1S/C27H24FN3O2/c1-33-23-13-9-21(10-14-23)27(32)30-16-15-25-24(18-30)26(20-7-11-22(28)12-8-20)29-31(25)17-19-5-3-2-4-6-19/h2-14H,15-18H2,1H3
InChIKeyJLSBYPJDVZCFLF-UHFFFAOYSA-N
XLogP4.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone (CID 89444210) is [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3c(c(-c4ccc(F)cc4)nn3Cc3ccccc3)C2)cc1.
What is the InChIKey of [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is JLSBYPJDVZCFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-33-23-13-9-21(10-14-23)27(32)30-16-15-25-24(18-30)26(20-7-11-22(28)12-8-20)29-31(25)17-19-5-3-2-4-6-19/h2-14H,15-18H2,1H3.
What are the key properties of [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone?
[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 441.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 89444210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).