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

C21H26FN3O2 — CID 50832704

IUPACcyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H26FN3O2/c1-24-20-10-11-25(21(26)15-6-2-3-7-15)12-17(20)19(23-24)14-27-13-16-8-4-5-9-18(16)22/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3
InChIKeyKJFSOFMUJHGPKB-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.35
Rot. Bonds5

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

cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 50832704) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID50832704
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Namecyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H26FN3O2/c1-24-20-10-11-25(21(26)15-6-2-3-7-15)12-17(20)19(23-24)14-27-13-16-8-4-5-9-18(16)22/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3
InChIKeyKJFSOFMUJHGPKB-UHFFFAOYSA-N
XLogP3.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 50832704) is cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is KJFSOFMUJHGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-24-20-10-11-25(21(26)15-6-2-3-7-15)12-17(20)19(23-24)14-27-13-16-8-4-5-9-18(16)22/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3.
What are the key properties of cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 50832704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).