6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C20H17F3N6O — CID 138506749

IUPAC6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESC=N/C=C(N)\C=C(/C)c1cc(C(N)=O)c2cnn(-c3cccc(C(F)(F)F)n3)c2c1
InChIInChI=1S/C20H17F3N6O/c1-11(6-13(24)9-26-2)12-7-14(19(25)30)15-10-27-29(16(15)8-12)18-5-3-4-17(28-18)20(21,22)23/h3-10H,2,24H2,1H3,(H2,25,30)/b11-6+,13-9+
InChIKeyCRUMBKIJBXGZLJ-SVWNPJEBSA-N
MW414.39 g/mol
LogP3.44
Rot. Bonds5

About 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 138506749) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID138506749
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESC=N/C=C(N)\C=C(/C)c1cc(C(N)=O)c2cnn(-c3cccc(C(F)(F)F)n3)c2c1
InChIInChI=1S/C20H17F3N6O/c1-11(6-13(24)9-26-2)12-7-14(19(25)30)15-10-27-29(16(15)8-12)18-5-3-4-17(28-18)20(21,22)23/h3-10H,2,24H2,1H3,(H2,25,30)/b11-6+,13-9+
InChIKeyCRUMBKIJBXGZLJ-SVWNPJEBSA-N
XLogP3.44
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 138506749) is 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is C=N/C=C(N)\C=C(/C)c1cc(C(N)=O)c2cnn(-c3cccc(C(F)(F)F)n3)c2c1.
What is the InChIKey of 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is CRUMBKIJBXGZLJ-SVWNPJEBSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-11(6-13(24)9-26-2)12-7-14(19(25)30)15-10-27-29(16(15)8-12)18-5-3-4-17(28-18)20(21,22)23/h3-10H,2,24H2,1H3,(H2,25,30)/b11-6+,13-9+.
What are the key properties of 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,4E)-4-amino-5-(methylideneamino)penta-2,4-dien-2-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 138506749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).