N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C24H21F3N4O2 — CID 134801114

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)c1
InChIInChI=1S/C24H21F3N4O2/c1-31-22-19(14-29-31)18(23(32)28-11-10-15-6-5-7-16(12-15)33-2)13-21(30-22)17-8-3-4-9-20(17)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,28,32)
InChIKeyQUKLEXIBHSWWFL-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801114) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801114
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)c1
InChIInChI=1S/C24H21F3N4O2/c1-31-22-19(14-29-31)18(23(32)28-11-10-15-6-5-7-16(12-15)33-2)13-21(30-22)17-8-3-4-9-20(17)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,28,32)
InChIKeyQUKLEXIBHSWWFL-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801114) is N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3c2cnn3C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QUKLEXIBHSWWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-31-22-19(14-29-31)18(23(32)28-11-10-15-6-5-7-16(12-15)33-2)13-21(30-22)17-8-3-4-9-20(17)24(25,26)27/h3-9,12-14H,10-11H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).