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

C24H25FN4O3 — CID 53066550

IUPACN-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)c1
InChIInChI=1S/C24H25FN4O3/c1-28-21-10-11-29(22(30)13-17-4-3-5-19(12-17)32-2)15-20(21)23(27-28)24(31)26-14-16-6-8-18(25)9-7-16/h3-9,12H,10-11,13-15H2,1-2H3,(H,26,31)
InChIKeyPQXWEKUHTCJRIV-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.63
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066550) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066550
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)c1
InChIInChI=1S/C24H25FN4O3/c1-28-21-10-11-29(22(30)13-17-4-3-5-19(12-17)32-2)15-20(21)23(27-28)24(31)26-14-16-6-8-18(25)9-7-16/h3-9,12H,10-11,13-15H2,1-2H3,(H,26,31)
InChIKeyPQXWEKUHTCJRIV-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PEX14-PEX5 Inhibitor-5
CID 130375325
1-(2-Hydroxyethyl)-5-[(4-Methoxynaphthalen-1-Yl)methyl]-~{n}-(Phenylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 26137977
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
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CID 3780243
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
N-hydroxy-5-(4-methoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465646
5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698
5-methoxy-N-({1-[3-(propanoylamino) propyl]piperidin-4-yl}methyl)-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066550) is N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PQXWEKUHTCJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-28-21-10-11-29(22(30)13-17-4-3-5-19(12-17)32-2)15-20(21)23(27-28)24(31)26-14-16-6-8-18(25)9-7-16/h3-9,12H,10-11,13-15H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).