2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

C22H21N5O — CID 136788254

IUPAC2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCCn1c(C)c(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C22H21N5O/c1-3-27-15(2)18(17-11-7-8-12-20(17)27)14-23-26-22-24-19(13-21(28)25-22)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H2,24,25,26,28)/b23-14-
InChIKeyZMEMJQHOGZQCQD-UCQKPKSFSA-N
MW371.44 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136788254) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136788254
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCCn1c(C)c(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C22H21N5O/c1-3-27-15(2)18(17-11-7-8-12-20(17)27)14-23-26-22-24-19(13-21(28)25-22)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H2,24,25,26,28)/b23-14-
InChIKeyZMEMJQHOGZQCQD-UCQKPKSFSA-N
XLogP4.17
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136788254) is 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is CCn1c(C)c(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)c2ccccc21.
What is the InChIKey of 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is ZMEMJQHOGZQCQD-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-27-15(2)18(17-11-7-8-12-20(17)27)14-23-26-22-24-19(13-21(28)25-22)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H2,24,25,26,28)/b23-14-.
What are the key properties of 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136788254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).