N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C18H16F3N5O2 — CID 78839498

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O2/c1-9-13-6-11(8-22-16(13)26(3)25-9)17(28)24-15-5-4-12(23-10(2)27)7-14(15)18(19,20)21/h4-8H,1-3H3,(H,23,27)(H,24,28)
InChIKeyPFODKZOMBLJRGS-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.51
Rot. Bonds3

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839498) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839498
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N5O2/c1-9-13-6-11(8-22-16(13)26(3)25-9)17(28)24-15-5-4-12(23-10(2)27)7-14(15)18(19,20)21/h4-8H,1-3H3,(H,23,27)(H,24,28)
InChIKeyPFODKZOMBLJRGS-UHFFFAOYSA-N
XLogP3.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78886996
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
sodium;2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)carbamoylamino]-2-(trifluoromethyl)phenoxy]acetate;ethyl 2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)carbamoylamino]-2-(trifluoromethyl)phenoxy]acetate
CID 158718127
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78893655

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839498) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is PFODKZOMBLJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-9-13-6-11(8-22-16(13)26(3)25-9)17(28)24-15-5-4-12(23-10(2)27)7-14(15)18(19,20)21/h4-8H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).