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

C24H26FN3O2 — CID 46390314

IUPAC1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H26FN3O2/c1-27-23-13-14-28(24(29)12-11-18-7-3-2-4-8-18)15-20(23)22(26-27)17-30-16-19-9-5-6-10-21(19)25/h2-10H,11-17H2,1H3
InChIKeyXNDJWWRMQCKGFB-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.79
Rot. Bonds7

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

1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one (PubChem CID 46390314) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
PubChem CID46390314
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H26FN3O2/c1-27-23-13-14-28(24(29)12-11-18-7-3-2-4-8-18)15-20(23)22(26-27)17-30-16-19-9-5-6-10-21(19)25/h2-10H,11-17H2,1H3
InChIKeyXNDJWWRMQCKGFB-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one (CID 46390314) is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)CCc1ccccc1)C2.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
The InChIKey is XNDJWWRMQCKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-27-23-13-14-28(24(29)12-11-18-7-3-2-4-8-18)15-20(23)22(26-27)17-30-16-19-9-5-6-10-21(19)25/h2-10H,11-17H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one?
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one has a molecular weight of 407.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46390314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).