N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide

C17H14F3N5O2 — CID 87918614

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
SMILESCc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H14F3N5O2/c1-10-14-7-13(8-21-15(14)24(2)23-10)25(9-26)16(27)22-12-5-3-4-11(6-12)17(18,19)20/h3-9H,1-2H3,(H,22,27)
InChIKeySGPAOFHIEARIPK-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.49
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide (PubChem CID 87918614) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
PubChem CID87918614
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide
SMILESCc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H14F3N5O2/c1-10-14-7-13(8-21-15(14)24(2)23-10)25(9-26)16(27)22-12-5-3-4-11(6-12)17(18,19)20/h3-9H,1-2H3,(H,22,27)
InChIKeySGPAOFHIEARIPK-UHFFFAOYSA-N
XLogP3.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
CID 91092268
N-(3-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
CID 22252474
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
N-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918683
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 139011634
1,3-dimethyl-N-[(3-phenoxyphenyl)carbamoyl]-N-sulfanylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87500483
N-[6-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide;hydrochloride
CID 87918651
N-[6-[2-(dimethylamino)ethyl-methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide;hydrochloride
CID 87918664
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90557517

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide (CID 87918614) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide is Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide?
The InChIKey is SGPAOFHIEARIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-10-14-7-13(8-21-15(14)24(2)23-10)25(9-26)16(27)22-12-5-3-4-11(6-12)17(18,19)20/h3-9H,1-2H3,(H,22,27).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide has a molecular weight of 377.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]formamide is sourced from PubChem (CID 87918614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).