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

C23H18N10S — CID 136944372

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

1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 136944372) has the molecular formula C23H18N10S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 136944372
• Molecular Formula: C23H18N10S
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.14
• IUPAC Name: 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3cc4c(-c5nc6c(-c7ccsc7)nccc6[nH]5)n[nH]c4cn3)n2)C1
• InChI: InChI=1S/C23H18N10S/c24-13-9-33(10-13)19-8-25-6-18(28-19)16-5-14-17(7-27-16)31-32-21(14)23-29-15-1-3-26-20(22(15)30-23)12-2-4-34-11-12/h1-8,11,13H,9-10,24H2,(H,29,30)(H,31,32)
• InChIKey: AILFFCXDVPSYJV-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 138.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 136944372) is 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

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

The canonical SMILES for 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3cc4c(-c5nc6c(-c7ccsc7)nccc6[nH]5)n[nH]c4cn3)n2)C1.

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

The InChIKey is AILFFCXDVPSYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N10S/c24-13-9-33(10-13)19-8-25-6-18(28-19)16-5-14-17(7-27-16)31-32-21(14)23-29-15-1-3-26-20(22(15)30-23)12-2-4-34-11-12/h1-8,11,13H,9-10,24H2,(H,29,30)(H,31,32).

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

1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 466.53 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 136944372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).