N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C26H22N8S — CID 145035131

About N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 145035131) has the molecular formula C26H22N8S and a molecular weight of 478.59 g/mol. Its IUPAC name is N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145035131
• Molecular Formula: C26H22N8S
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.17
• IUPAC Name: N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CCC)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C26H22N8S/c1-3-4-15(2)30-18-9-17(11-27-12-18)21-10-20-22(13-29-21)33-34-24(20)26-31-23-19(16-6-8-35-14-16)5-7-28-25(23)32-26/h5-14,30H,2-4H2,1H3,(H,33,34)(H,28,31,32)
• InChIKey: PRTXBITVDMQJNP-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 145035131) is N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is C=C(CCC)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

The InChIKey is PRTXBITVDMQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8S/c1-3-4-15(2)30-18-9-17(11-27-12-18)21-10-20-22(13-29-21)33-34-24(20)26-31-23-19(16-6-8-35-14-16)5-7-28-25(23)32-26/h5-14,30H,2-4H2,1H3,(H,33,34)(H,28,31,32).

What are the key properties of N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?

N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 478.59 g/mol, XLogP of 6.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).