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

C22H22FN3O2 — CID 50832731

IUPAC[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H22FN3O2/c1-25-21-11-12-26(22(27)16-7-3-2-4-8-16)13-18(21)20(24-25)15-28-14-17-9-5-6-10-19(17)23/h2-10H,11-15H2,1H3
InChIKeyBMORZOFEYBIJCB-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.47
Rot. Bonds5

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

[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (PubChem CID 50832731) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
PubChem CID50832731
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H22FN3O2/c1-25-21-11-12-26(22(27)16-7-3-2-4-8-16)13-18(21)20(24-25)15-28-14-17-9-5-6-10-19(17)23/h2-10H,11-15H2,1H3
InChIKeyBMORZOFEYBIJCB-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone (CID 50832731) is [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is BMORZOFEYBIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-25-21-11-12-26(22(27)16-7-3-2-4-8-16)13-18(21)20(24-25)15-28-14-17-9-5-6-10-19(17)23/h2-10H,11-15H2,1H3.
What are the key properties of [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone?
[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 379.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 50832731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).