4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

About 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848491) has the molecular formula C21H22N8S and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID	171848491
Molecular Formula	C21H22N8S
Molecular Weight	418.53 g/mol
Exact Mass	418.17
IUPAC Name	4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES	C=N/C=C(\N=C/C)Sc1cc(-c2cnn(C3CCCNC3)c2)cn2ncc(C#N)c12
InChI	InChI=1S/C21H22N8S/c1-3-25-20(12-23-2)30-19-7-15(13-29-21(19)16(8-22)9-27-29)17-10-26-28(14-17)18-5-4-6-24-11-18/h3,7,9-10,12-14,18,24H,2,4-6,11H2,1H3/b20-12+,25-3-
InChIKey	ZZQRZUXHVVISIU-NYEBFKNRSA-N
XLogP	3.68
TPSA	95.66 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848491) is 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C=N/C=C(\N=C/C)Sc1cc(-c2cnn(C3CCCNC3)c2)cn2ncc(C#N)c12.

What is the InChIKey of 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZZQRZUXHVVISIU-NYEBFKNRSA-N. The full InChI is InChI=1S/C21H22N8S/c1-3-25-20(12-23-2)30-19-7-15(13-29-21(19)16(8-22)9-27-29)17-10-26-28(14-17)18-5-4-6-24-11-18/h3,7,9-10,12-14,18,24H,2,4-6,11H2,1H3/b20-12+,25-3-.

What are the key properties of 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 418.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).