2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C22H15N5OS2 — CID 137222937

IUPAC2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NN=Cc2ccccc2)nc2nc(-c3cccs3)cc(-c3cccs3)c12
InChIInChI=1S/C22H15N5OS2/c28-21-19-15(17-8-4-10-29-17)12-16(18-9-5-11-30-18)24-20(19)25-22(26-21)27-23-13-14-6-2-1-3-7-14/h1-13H,(H2,24,25,26,27,28)
InChIKeyDBTRUKLDYHUJJJ-UHFFFAOYSA-N
MW429.53 g/mol
LogP5.22
Rot. Bonds5

About 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137222937) has the molecular formula C22H15N5OS2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137222937
Molecular FormulaC22H15N5OS2
Molecular Weight429.53 g/mol
Exact Mass429.07
IUPAC Name2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NN=Cc2ccccc2)nc2nc(-c3cccs3)cc(-c3cccs3)c12
InChIInChI=1S/C22H15N5OS2/c28-21-19-15(17-8-4-10-29-17)12-16(18-9-5-11-30-18)24-20(19)25-22(26-21)27-23-13-14-6-2-1-3-7-14/h1-13H,(H2,24,25,26,27,28)
InChIKeyDBTRUKLDYHUJJJ-UHFFFAOYSA-N
XLogP5.22
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137222940
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 53308950
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137222937) is 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(NN=Cc2ccccc2)nc2nc(-c3cccs3)cc(-c3cccs3)c12.
What is the InChIKey of 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DBTRUKLDYHUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS2/c28-21-19-15(17-8-4-10-29-17)12-16(18-9-5-11-30-18)24-20(19)25-22(26-21)27-23-13-14-6-2-1-3-7-14/h1-13H,(H2,24,25,26,27,28).
What are the key properties of 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 429.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137222937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).