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

C23H22F2N4O3 — CID 110248175

IUPAC5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C23H22F2N4O3/c1-28-11-16-12-29(21(30)14-32-18-8-6-17(24)7-9-18)13-19(22(16)27-28)23(31)26-10-15-4-2-3-5-20(15)25/h2-9,11,19H,10,12-14H2,1H3,(H,26,31)
InChIKeyHHNYMLIUXJALAU-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.52
Rot. Bonds6

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

5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248175) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248175
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2
InChIInChI=1S/C23H22F2N4O3/c1-28-11-16-12-29(21(30)14-32-18-8-6-17(24)7-9-18)13-19(22(16)27-28)23(31)26-10-15-4-2-3-5-20(15)25/h2-9,11,19H,10,12-14H2,1H3,(H,26,31)
InChIKeyHHNYMLIUXJALAU-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248176
5-[2-(4-methoxyphenyl)acetyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248145
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360922
(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806138
(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 124995797
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
2-(4-methylphenoxy)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 121198470
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 121198404
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92621168
N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896187
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248175) is 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)C(C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is HHNYMLIUXJALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-28-11-16-12-29(21(30)14-32-18-8-6-17(24)7-9-18)13-19(22(16)27-28)23(31)26-10-15-4-2-3-5-20(15)25/h2-9,11,19H,10,12-14H2,1H3,(H,26,31).
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).