(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide

C23H22N6O2 — CID 155482596

IUPAC(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C(=O)Nc1ccc2[nH]nc(-c3ccnc(OC)c3)c2c1)=C(C)\C(C)=C(/C)C#N
InChIInChI=1S/C23H22N6O2/c1-13(12-24)14(2)15(3)21(25-4)23(30)27-17-6-7-19-18(11-17)22(29-28-19)16-8-9-26-20(10-16)31-5/h6-11H,4H2,1-3,5H3,(H,27,30)(H,28,29)/b14-13+,21-15-
InChIKeyVXYFFKHTYVGVBP-TWGYAANKSA-N
MW414.47 g/mol
LogP4.41
Rot. Bonds6

About (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide

(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide (PubChem CID 155482596) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide
PubChem CID155482596
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C(=O)Nc1ccc2[nH]nc(-c3ccnc(OC)c3)c2c1)=C(C)\C(C)=C(/C)C#N
InChIInChI=1S/C23H22N6O2/c1-13(12-24)14(2)15(3)21(25-4)23(30)27-17-6-7-19-18(11-17)22(29-28-19)16-8-9-26-20(10-16)31-5/h6-11H,4H2,1-3,5H3,(H,27,30)(H,28,29)/b14-13+,21-15-
InChIKeyVXYFFKHTYVGVBP-TWGYAANKSA-N
XLogP4.41
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide with MolForge

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Related Compounds

5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155482198
N-[3-(4-phosphanylphenyl)-1H-indazol-5-yl]acetamide
CID 143488725
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
5-cyano-4-methoxy-3-methyl-N-[3-(1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482655
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide
CID 155481978
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide
CID 22260870
5-cyano-N-[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482313
N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
CID 86630178

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide (CID 155482596) is (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide is C=N/C(C(=O)Nc1ccc2[nH]nc(-c3ccnc(OC)c3)c2c1)=C(C)\C(C)=C(/C)C#N.
What is the InChIKey of (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide?
The InChIKey is VXYFFKHTYVGVBP-TWGYAANKSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-13(12-24)14(2)15(3)21(25-4)23(30)27-17-6-7-19-18(11-17)22(29-28-19)16-8-9-26-20(10-16)31-5/h6-11H,4H2,1-3,5H3,(H,27,30)(H,28,29)/b14-13+,21-15-.
What are the key properties of (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide?
(2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide has a molecular weight of 414.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3,4-dimethyl-2-(methylideneamino)hexa-2,4-dienamide is sourced from PubChem (CID 155482596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).