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

C24H20N8S — CID 137042293

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

N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137042293) has the molecular formula C24H20N8S and a molecular weight of 452.55 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137042293
• Molecular Formula: C24H20N8S
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.15
• IUPAC Name: N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C24H20N8S/c1-13(2)27-15-10-14(11-25-12-15)17-5-6-18-21(28-17)22(32-31-18)24-29-20-16(19-4-3-9-33-19)7-8-26-23(20)30-24/h3-13,27H,1-2H3,(H,31,32)(H,26,29,30)
• InChIKey: YVRNDHJYMVVELE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137042293) is N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3n2)c1.

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

The InChIKey is YVRNDHJYMVVELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8S/c1-13(2)27-15-10-14(11-25-12-15)17-5-6-18-21(28-17)22(32-31-18)24-29-20-16(19-4-3-9-33-19)7-8-26-23(20)30-24/h3-13,27H,1-2H3,(H,31,32)(H,26,29,30).

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

N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 452.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137042293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).