N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C24H27FN4O2 — CID 53018259

IUPACN-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1
InChIInChI=1S/C24H27FN4O2/c1-3-17-8-10-19(11-9-17)26-24(30)29-13-12-23-20(14-29)22(27-28(23)2)16-31-15-18-6-4-5-7-21(18)25/h4-11H,3,12-16H2,1-2H3,(H,26,30)
InChIKeyMVGSPORAYIXOKR-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.43
Rot. Bonds6

About N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018259) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018259
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1
InChIInChI=1S/C24H27FN4O2/c1-3-17-8-10-19(11-9-17)26-24(30)29-13-12-23-20(14-29)22(27-28(23)2)16-31-15-18-6-4-5-7-21(18)25/h4-11H,3,12-16H2,1-2H3,(H,26,30)
InChIKeyMVGSPORAYIXOKR-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018259) is N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CCc1ccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is MVGSPORAYIXOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-17-8-10-19(11-9-17)26-24(30)29-13-12-23-20(14-29)22(27-28(23)2)16-31-15-18-6-4-5-7-21(18)25/h4-11H,3,12-16H2,1-2H3,(H,26,30).
What are the key properties of N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-ethylphenyl)-3-[(2-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 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).