3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide

C16H14F3N7O — CID 155585173

IUPAC3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(Nc2cc(-c3ccc(C(F)(F)F)cn3)n(C)n2)cc1O
InChIInChI=1S/C16H14F3N7O/c1-26-11(10-3-2-8(6-22-10)16(17,18)19)5-13(25-26)24-9-4-12(27)14(15(20)21)23-7-9/h2-7,27H,1H3,(H3,20,21)(H,24,25)
InChIKeyRMHDOJXORZHDDD-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.63
Rot. Bonds4

About 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide

3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide (PubChem CID 155585173) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide
PubChem CID155585173
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(Nc2cc(-c3ccc(C(F)(F)F)cn3)n(C)n2)cc1O
InChIInChI=1S/C16H14F3N7O/c1-26-11(10-3-2-8(6-22-10)16(17,18)19)5-13(25-26)24-9-4-12(27)14(15(20)21)23-7-9/h2-7,27H,1H3,(H3,20,21)(H,24,25)
InChIKeyRMHDOJXORZHDDD-UHFFFAOYSA-N
XLogP2.63
TPSA125.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide?
The IUPAC name of 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide (CID 155585173) is 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide?
The canonical SMILES for 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncc(Nc2cc(-c3ccc(C(F)(F)F)cn3)n(C)n2)cc1O.
What is the InChIKey of 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide?
The InChIKey is RMHDOJXORZHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-26-11(10-3-2-8(6-22-10)16(17,18)19)5-13(25-26)24-9-4-12(27)14(15(20)21)23-7-9/h2-7,27H,1H3,(H3,20,21)(H,24,25).
What are the key properties of 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide?
3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide has a molecular weight of 377.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 155585173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).