3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H25FN4O2 — CID 53018349

IUPAC3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O2/c1-3-8-21-19(25)24-9-7-18-16(11-24)17(22-23(18)2)13-26-12-14-5-4-6-15(20)10-14/h4-6,10H,3,7-9,11-13H2,1-2H3,(H,21,25)
InChIKeyGOJSADZAPDHKRQ-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.75
Rot. Bonds6

About 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018349) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018349
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O2/c1-3-8-21-19(25)24-9-7-18-16(11-24)17(22-23(18)2)13-26-12-14-5-4-6-15(20)10-14/h4-6,10H,3,7-9,11-13H2,1-2H3,(H,21,25)
InChIKeyGOJSADZAPDHKRQ-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018434
N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443458
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
3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018428
N-(3-Chloro-4-methylphenyl)-3-{[(3-fluorophenyl)methoxy]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018359
N~5~-(3-Fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018421
N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018444
1,4-diazabicyclo[3.2.2]nonan-4-yl-[3-(4-fluorophenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]methanone
CID 168912167
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
CID 50832629
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50832705
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 50832717
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 50832730

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018349) is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is GOJSADZAPDHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-8-21-19(25)24-9-7-18-16(11-24)17(22-23(18)2)13-26-12-14-5-4-6-15(20)10-14/h4-6,10H,3,7-9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).