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

C23H25FN4O2 — CID 53018315

IUPACN-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-6-8-17(9-7-16)14-30-15-21-20-13-28(11-10-22(20)27(2)26-21)23(29)25-19-5-3-4-18(24)12-19/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29)
InChIKeySDTSVOVWDQEILD-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.17
Rot. Bonds5

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

N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018315) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018315
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-6-8-17(9-7-16)14-30-15-21-20-13-28(11-10-22(20)27(2)26-21)23(29)25-19-5-3-4-18(24)12-19/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29)
InChIKeySDTSVOVWDQEILD-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018315) is N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccc(F)c2)CC3)cc1.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is SDTSVOVWDQEILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-6-8-17(9-7-16)14-30-15-21-20-13-28(11-10-22(20)27(2)26-21)23(29)25-19-5-3-4-18(24)12-19/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).