3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C22H20F4N4O2 — CID 53018434

IUPAC3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C22H20F4N4O2/c1-29-20-9-10-30(21(31)27-16-4-2-3-14(11-16)22(24,25)26)12-18(20)19(28-29)13-32-17-7-5-15(23)6-8-17/h2-8,11H,9-10,12-13H2,1H3,(H,27,31)
InChIKeyXZGPESFQRQJKDL-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.75
Rot. Bonds4

About 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018434) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018434
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C22H20F4N4O2/c1-29-20-9-10-30(21(31)27-16-4-2-3-14(11-16)22(24,25)26)12-18(20)19(28-29)13-32-17-7-5-15(23)6-8-17/h2-8,11H,9-10,12-13H2,1H3,(H,27,31)
InChIKeyXZGPESFQRQJKDL-UHFFFAOYSA-N
XLogP4.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018360
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018328
4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288527
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018252
ethyl 2-[[3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]acetate
CID 53018336
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018978
3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834999
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
1-methyl-N-(3-methylsulfanylphenyl)-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066842
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018434) is 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is XZGPESFQRQJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-29-20-9-10-30(21(31)27-16-4-2-3-14(11-16)22(24,25)26)12-18(20)19(28-29)13-32-17-7-5-15(23)6-8-17/h2-8,11H,9-10,12-13H2,1H3,(H,27,31).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 448.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).