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

C22H17F3N4O2 — CID 134800852

IUPACN-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2cnn3C)c1
InChIInChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(21(30)27-15-4-3-5-16(10-15)31-2)11-19(28-20)13-6-8-14(9-7-13)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyGSIDNPYBYWAYHX-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.91
Rot. Bonds4

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

N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800852) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800852
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2cnn3C)c1
InChIInChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(21(30)27-15-4-3-5-16(10-15)31-2)11-19(28-20)13-6-8-14(9-7-13)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyGSIDNPYBYWAYHX-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-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800852) is N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2cnn3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GSIDNPYBYWAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-20-18(12-26-29)17(21(30)27-15-4-3-5-16(10-15)31-2)11-19(28-20)13-6-8-14(9-7-13)22(23,24)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-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-(3-methoxyphenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).