5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C20H16F3N5O — CID 135200499

IUPAC5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)C(F)(F)F
InChIInChI=1S/C20H16F3N5O/c1-12(8-14(10-24-2)20(21,22)23)13-5-6-17-16(9-13)18(28-27-17)19(29)26-15-4-3-7-25-11-15/h3-11H,2H2,1H3,(H,26,29)(H,27,28)/b12-8+,14-10+
InChIKeyAKQQZRWFEKZKSU-HNXSEKISSA-N
MW399.38 g/mol
LogP4.76
Rot. Bonds5

About 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 135200499) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID135200499
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)C(F)(F)F
InChIInChI=1S/C20H16F3N5O/c1-12(8-14(10-24-2)20(21,22)23)13-5-6-17-16(9-13)18(28-27-17)19(29)26-15-4-3-7-25-11-15/h3-11H,2H2,1H3,(H,26,29)(H,27,28)/b12-8+,14-10+
InChIKeyAKQQZRWFEKZKSU-HNXSEKISSA-N
XLogP4.76
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 155017777
5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide
CID 146233119
5-[(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 130368490
N-(5-fluoro-3-pyridinyl)-5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 135200303
5-[(3E,5E)-7-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethylhepta-1,3,5-trien-4-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 155007893
N-(6-ethoxy-3-pyridinyl)-5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 155017781
N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[(2E,4E)-5-(methylideneamino)-4-(piperidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 146233127
5-(3-fluoro-2-methylphenyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123828184
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547
5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 135200447
5-[(2E,4E)-4-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 155017786
5-[(2E,4E)-5-(methylideneamino)-4-(morpholin-4-ylmethyl)penta-2,4-dien-2-yl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 135200457

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 135200499) is 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is C=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)C(F)(F)F.
What is the InChIKey of 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is AKQQZRWFEKZKSU-HNXSEKISSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-12(8-14(10-24-2)20(21,22)23)13-5-6-17-16(9-13)18(28-27-17)19(29)26-15-4-3-7-25-11-15/h3-11H,2H2,1H3,(H,26,29)(H,27,28)/b12-8+,14-10+.
What are the key properties of 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 135200499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).