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

C18H22FN3O2 — CID 50832705

IUPAC1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1
InChIInChI=1S/C18H22FN3O2/c1-3-18(23)22-9-8-17-14(10-22)16(20-21(17)2)12-24-11-13-6-4-5-7-15(13)19/h4-7H,3,8-12H2,1-2H3
InChIKeyWXEKWEMHSGOSNL-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.57
Rot. Bonds5

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

1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 50832705) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID50832705
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1
InChIInChI=1S/C18H22FN3O2/c1-3-18(23)22-9-8-17-14(10-22)16(20-21(17)2)12-24-11-13-6-4-5-7-15(13)19/h4-7H,3,8-12H2,1-2H3
InChIKeyWXEKWEMHSGOSNL-UHFFFAOYSA-N
XLogP2.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-({4-[3-(trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951943
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 50832540
1-({2-fluoro-4-[3-(trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951947
2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
ethyl 4-({[3-oxo-2-(pyrrolidin-1-ylcarbonyl)-3,4-dihydro-2H-1,4-benzothiazin-6-yl]sulfonyl}amino)benzoate
CID 50832315
(2,6-difluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832416
(4-fluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832448
(4-chlorophenyl)-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832524
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
CID 50832629
(3-fluorophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832695
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 50832717
3-[(Benzyloxy)methyl]-5-(4-fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine
CID 50832722

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]propan-1-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 50832705) is 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-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]propan-1-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2c(c(COCc3ccccc3F)nn2C)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is WXEKWEMHSGOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-18(23)22-9-8-17-14(10-22)16(20-21(17)2)12-24-11-13-6-4-5-7-15(13)19/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.57, 5 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]propan-1-one is sourced from PubChem (CID 50832705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).