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

C21H20ClFN4O2 — CID 53018446

IUPACN-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C21H20ClFN4O2/c1-26-20-9-10-27(21(28)24-16-7-5-14(22)6-8-16)12-18(20)19(25-26)13-29-17-4-2-3-15(23)11-17/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)
InChIKeyYOWSXWDXCBUJCF-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.38
Rot. Bonds4

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

N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018446) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018446
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC NameN-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C21H20ClFN4O2/c1-26-20-9-10-27(21(28)24-16-7-5-14(22)6-8-16)12-18(20)19(25-26)13-29-17-4-2-3-15(23)11-17/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)
InChIKeyYOWSXWDXCBUJCF-UHFFFAOYSA-N
XLogP4.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018446) is N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YOWSXWDXCBUJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c1-26-20-9-10-27(21(28)24-16-7-5-14(22)6-8-16)12-18(20)19(25-26)13-29-17-4-2-3-15(23)11-17/h2-8,11H,9-10,12-13H2,1H3,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).