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

C26H21N9 — CID 137117012

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

1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137117012) has the molecular formula C26H21N9 and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 137117012
• Molecular Formula: C26H21N9
• Molecular Weight: 459.52 g/mol
• Exact Mass: 459.19
• IUPAC Name: 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)n2)C1
• InChI: InChI=1S/C26H21N9/c27-17-13-35(14-17)25-12-30-10-23(32-25)16-1-2-21-19(7-16)26(34-33-21)22-8-18-20(9-29-11-24(18)31-22)15-3-5-28-6-4-15/h1-12,17,31H,13-14,27H2,(H,33,34)
• InChIKey: NCOLRIDGJNMTNT-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 125.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.52
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137117012) is 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine.

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

The canonical SMILES for 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccncc7)cncc6[nH]5)c4c3)n2)C1.

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

The InChIKey is NCOLRIDGJNMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N9/c27-17-13-35(14-17)25-12-30-10-23(32-25)16-1-2-21-19(7-16)26(34-33-21)22-8-18-20(9-29-11-24(18)31-22)15-3-5-28-6-4-15/h1-12,17,31H,13-14,27H2,(H,33,34).

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

1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 459.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).