(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one

C24H18N6O — CID 8978857

IUPAC(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
SMILESCN1C(=O)/C(=N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc21
InChIInChI=1S/C24H18N6O/c1-29-21-10-6-5-9-20(21)23(24(29)31)27-26-15-18-16-30(19-7-3-2-4-8-19)28-22(18)17-11-13-25-14-12-17/h2-16H,1H3/b26-15-,27-23+
InChIKeyGPFOBZDEDFCMRK-HZVQHAHKSA-N
MW406.45 g/mol
LogP3.73
Rot. Bonds4

About (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one

(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one (PubChem CID 8978857) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
PubChem CID8978857
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
SMILESCN1C(=O)/C(=N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc21
InChIInChI=1S/C24H18N6O/c1-29-21-10-6-5-9-20(21)23(24(29)31)27-26-15-18-16-30(19-7-3-2-4-8-19)28-22(18)17-11-13-25-14-12-17/h2-16H,1H3/b26-15-,27-23+
InChIKeyGPFOBZDEDFCMRK-HZVQHAHKSA-N
XLogP3.73
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 9023555
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 75362969
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]propanedinitrile
CID 904285
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8978837
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2815340
(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 146000127
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
4-bromo-2,6-dichloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 71844798
(E)-1-(4-methylphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 18228455
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285

Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one (CID 8978857) is (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one is CN1C(=O)/C(=N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc21.
What is the InChIKey of (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is GPFOBZDEDFCMRK-HZVQHAHKSA-N. The full InChI is InChI=1S/C24H18N6O/c1-29-21-10-6-5-9-20(21)23(24(29)31)27-26-15-18-16-30(19-7-3-2-4-8-19)28-22(18)17-11-13-25-14-12-17/h2-16H,1H3/b26-15-,27-23+.
What are the key properties of (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one?
(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 406.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 8978857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).