N-(3-piperidin-4-ylprop-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

C29H27N9S — CID 145035753

About N-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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 145035753) has the molecular formula C29H27N9S and a molecular weight of 533.67 g/mol. Its IUPAC name is N-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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: 145035753
• Molecular Formula: C29H27N9S
• Molecular Weight: 533.67 g/mol
• Exact Mass: 533.21
• IUPAC Name: N-(3-piperidin-4-ylprop-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(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C29H27N9S/c1-17(10-18-2-6-30-7-3-18)34-21-11-20(13-31-14-21)24-12-23-25(15-33-24)37-38-27(23)29-35-26-22(19-5-9-39-16-19)4-8-32-28(26)36-29/h4-5,8-9,11-16,18,30,34H,1-3,6-7,10H2,(H,37,38)(H,32,35,36)
• InChIKey: KWTWUDXKAOYRAF-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 120.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.67
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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 145035753) is N-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of N-(3-piperidin-4-ylprop-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 KWTWUDXKAOYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N9S/c1-17(10-18-2-6-30-7-3-18)34-21-11-20(13-31-14-21)24-12-23-25(15-33-24)37-38-27(23)29-35-26-22(19-5-9-39-16-19)4-8-32-28(26)36-29/h4-5,8-9,11-16,18,30,34H,1-3,6-7,10H2,(H,37,38)(H,32,35,36).

What are the key properties of N-(3-piperidin-4-ylprop-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-(3-piperidin-4-ylprop-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 533.67 g/mol, XLogP of 6.00, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-piperidin-4-ylprop-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 145035753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).