1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

C24H19N9S — CID 137039299

About 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137039299) has the molecular formula C24H19N9S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 137039299
• Molecular Formula: C24H19N9S
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.15
• IUPAC Name: 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccsc7)nccc6[nH]5)c4n3)n2)C1
• InChI: InChI=1S/C24H19N9S/c25-14-10-33(11-14)21-9-26-8-20(29-21)17-1-2-18-23(30-17)24(32-31-18)19-7-15-16(28-19)3-5-27-22(15)13-4-6-34-12-13/h1-9,12,14,28H,10-11,25H2,(H,31,32)
• InChIKey: KFCYSZOOTOMMCQ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 125.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The IUPAC name of 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137039299) is 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

What is the SMILES notation for 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The canonical SMILES for 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccsc7)nccc6[nH]5)c4n3)n2)C1.

What is the InChIKey of 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The InChIKey is KFCYSZOOTOMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N9S/c25-14-10-33(11-14)21-9-26-8-20(29-21)17-1-2-18-23(30-17)24(32-31-18)19-7-15-16(28-19)3-5-27-22(15)13-4-6-34-12-13/h1-9,12,14,28H,10-11,25H2,(H,31,32).

What are the key properties of 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 465.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137039299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).