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

C24H27FN4O2 — CID 53018360

IUPACN-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1
InChIInChI=1S/C24H27FN4O2/c1-16-9-17(2)11-20(10-16)26-24(30)29-8-7-23-21(13-29)22(27-28(23)3)15-31-14-18-5-4-6-19(25)12-18/h4-6,9-12H,7-8,13-15H2,1-3H3,(H,26,30)
InChIKeyQOHWQWDKLPOOJF-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.48
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018360) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018360
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1
InChIInChI=1S/C24H27FN4O2/c1-16-9-17(2)11-20(10-16)26-24(30)29-8-7-23-21(13-29)22(27-28(23)3)15-31-14-18-5-4-6-19(25)12-18/h4-6,9-12H,7-8,13-15H2,1-3H3,(H,26,30)
InChIKeyQOHWQWDKLPOOJF-UHFFFAOYSA-N
XLogP4.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018328
N-(4-fluorophenyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018232
ethyl 2-[[3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]acetate
CID 53018336
1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(3-fluorophenyl)ethanone
CID 50832655
3-[(2-chloro-4-methylphenyl)methoxymethyl]-N-(4-ethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 159236931
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018252
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-5-[(4-methylphenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018476
3-[(3-fluorophenyl)methoxymethyl]-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018477
3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018434
(4-bromophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832610
5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832796
[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-fluorophenyl)methanone
CID 50832791

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018360) is N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(C)cc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QOHWQWDKLPOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-9-17(2)11-20(10-16)26-24(30)29-8-7-23-21(13-29)22(27-28(23)3)15-31-14-18-5-4-6-19(25)12-18/h4-6,9-12H,7-8,13-15H2,1-3H3,(H,26,30).
What are the key properties of N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3,5-dimethylphenyl)-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 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).