1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16F3N5O2 — CID 55737389

IUPAC1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c12
InChIInChI=1S/C21H16F3N5O2/c1-11-17-14(19(30)27-16-8-13(21(22,23)24)10-25-20(16)31)9-15(12-6-4-3-5-7-12)26-18(17)29(2)28-11/h3-10H,1-2H3,(H,25,31)(H,27,30)
InChIKeyGMZYGMWDUVZJKG-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.90
Rot. Bonds3

About 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55737389) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55737389
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c12
InChIInChI=1S/C21H16F3N5O2/c1-11-17-14(19(30)27-16-8-13(21(22,23)24)10-25-20(16)31)9-15(12-6-4-3-5-7-12)26-18(17)29(2)28-11/h3-10H,1-2H3,(H,25,31)(H,27,30)
InChIKeyGMZYGMWDUVZJKG-UHFFFAOYSA-N
XLogP3.90
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-6-phenyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015895
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
1,3-dimethyl-6-phenyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55976200
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502784

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55737389) is 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c12.
What is the InChIKey of 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GMZYGMWDUVZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-11-17-14(19(30)27-16-8-13(21(22,23)24)10-25-20(16)31)9-15(12-6-4-3-5-7-12)26-18(17)29(2)28-11/h3-10H,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55737389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).