2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C25H21N7S — CID 137040265

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

2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137040265) has the molecular formula C25H21N7S and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137040265
• Molecular Formula: C25H21N7S
• Molecular Weight: 451.56 g/mol
• Exact Mass: 451.16
• IUPAC Name: 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: CC(C)c1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)nccc5[nH]4)c3n2)cc1N
• InChI: InChI=1S/C25H21N7S/c1-13(2)22-16(26)10-14(12-28-22)17-5-6-19-24(30-17)25(32-31-19)20-11-15-18(29-20)7-8-27-23(15)21-4-3-9-33-21/h3-13,29H,26H2,1-2H3,(H,31,32)
• InChIKey: SDUPRERWEUWMKJ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 109.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.56
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137040265) is 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CC(C)c1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)nccc5[nH]4)c3n2)cc1N.

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

The InChIKey is SDUPRERWEUWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7S/c1-13(2)22-16(26)10-14(12-28-22)17-5-6-19-24(30-17)25(32-31-19)20-11-15-18(29-20)7-8-27-23(15)21-4-3-9-33-21/h3-13,29H,26H2,1-2H3,(H,31,32).

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

2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 451.56 g/mol, XLogP of 6.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137040265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).