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

C23H24ClFN4O2 — CID 53018359

IUPACN-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1Cl
InChIInChI=1S/C23H24ClFN4O2/c1-15-6-7-18(11-20(15)24)26-23(30)29-9-8-22-19(12-29)21(27-28(22)2)14-31-13-16-4-3-5-17(25)10-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,26,30)
InChIKeySCPSBUOCJJMKCN-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.83
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018359) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018359
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1Cl
InChIInChI=1S/C23H24ClFN4O2/c1-15-6-7-18(11-20(15)24)26-23(30)29-9-8-22-19(12-29)21(27-28(22)2)14-31-13-16-4-3-5-17(25)10-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,26,30)
InChIKeySCPSBUOCJJMKCN-UHFFFAOYSA-N
XLogP4.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018359) is N-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is SCPSBUOCJJMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-15-6-7-18(11-20(15)24)26-23(30)29-9-8-22-19(12-29)21(27-28(22)2)14-31-13-16-4-3-5-17(25)10-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,26,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).