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

C22H17F3N4O2 — CID 134802420

IUPACN-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2C
InChIInChI=1S/C22H17F3N4O2/c1-29-20-16(12-26-29)15(21(30)28-17-5-3-4-6-19(17)31-2)11-18(27-20)13-7-9-14(10-8-13)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyKWIDNODPIYCNTL-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.91
Rot. Bonds4

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

N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802420) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802420
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2C
InChIInChI=1S/C22H17F3N4O2/c1-29-20-16(12-26-29)15(21(30)28-17-5-3-4-6-19(17)31-2)11-18(27-20)13-7-9-14(10-8-13)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyKWIDNODPIYCNTL-UHFFFAOYSA-N
XLogP4.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802420) is N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KWIDNODPIYCNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-20-16(12-26-29)15(21(30)28-17-5-3-4-6-19(17)31-2)11-18(27-20)13-7-9-14(10-8-13)22(23,24)25/h3-12H,1-2H3,(H,28,30).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).