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

C29H27N9S — CID 145039061

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

N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145039061) 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-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145039061
• 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-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H27N9S/c1-17(10-18-2-6-30-7-3-18)34-22-11-20(13-31-15-22)21-12-23-26(37-38-28(23)33-14-21)29-35-24-4-8-32-25(27(24)36-29)19-5-9-39-16-19/h4-5,8-9,11-16,18,30,34H,1-3,6-7,10H2,(H,35,36)(H,33,37,38)
• InChIKey: QJJPVDZDIVXNPY-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-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 145039061) is N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.

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

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

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

N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]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-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145039061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).