(2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

C26H25N7S — CID 137032942

About (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (PubChem CID 137032942) has the molecular formula C26H25N7S and a molecular weight of 467.60 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine.

Molecular Properties

• Compound Name: (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
• PubChem CID: 137032942
• Molecular Formula: C26H25N7S
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.19
• IUPAC Name: (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
• SMILES: C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4nccc(-c5cccs5)c4[nH]3)c2n1)CN(C)C
• InChI: InChI=1S/C26H25N7S/c1-5-16(15-33(3)4)14-17(6-2)19-9-10-20-23(28-19)24(32-31-20)26-29-22-18(21-8-7-13-34-21)11-12-27-25(22)30-26/h5-14H,1,15H2,2-4H3,(H,31,32)(H,27,29,30)/b16-14+,17-6+
• InChIKey: HYFWCKXARHBJSH-GVJAGFTGSA-N
• XLogP: 5.70
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The IUPAC name of (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine (CID 137032942) is (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine.

What is the SMILES notation for (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The canonical SMILES for (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4nccc(-c5cccs5)c4[nH]3)c2n1)CN(C)C.

What is the InChIKey of (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

The InChIKey is HYFWCKXARHBJSH-GVJAGFTGSA-N. The full InChI is InChI=1S/C26H25N7S/c1-5-16(15-33(3)4)14-17(6-2)19-9-10-20-23(28-19)24(32-31-20)26-29-22-18(21-8-7-13-34-21)11-12-27-25(22)30-26/h5-14H,1,15H2,2-4H3,(H,31,32)(H,27,29,30)/b16-14+,17-6+.

What are the key properties of (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine?

(2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine has a molecular weight of 467.60 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-2-ethenyl-N,N-dimethyl-4-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 137032942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).