N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C24H27FN4O2 — CID 53018374

IUPACN-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C24H27FN4O2/c1-3-18-8-4-5-10-21(18)26-24(30)29-12-11-23-20(14-29)22(27-28(23)2)16-31-15-17-7-6-9-19(25)13-17/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,26,30)
InChIKeyPFCAJRHKAAAGFH-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.43
Rot. Bonds6

About N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018374) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018374
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C24H27FN4O2/c1-3-18-8-4-5-10-21(18)26-24(30)29-12-11-23-20(14-29)22(27-28(23)2)16-31-15-17-7-6-9-19(25)13-17/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,26,30)
InChIKeyPFCAJRHKAAAGFH-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162644861
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-(4-ethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018386
N-(3,4-dimethylphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018388
1-methyl-N-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018390
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-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018424
N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018444

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018374) is N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCc1ccccc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1.
What is the InChIKey of N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PFCAJRHKAAAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-18-8-4-5-10-21(18)26-24(30)29-12-11-23-20(14-29)22(27-28(23)2)16-31-15-17-7-6-9-19(25)13-17/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,26,30).
What are the key properties of N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).