3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol

C21H17ClN6O2 — CID 53323290

About 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol

3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol (PubChem CID 53323290) has the molecular formula C21H17ClN6O2 and a molecular weight of 420.86 g/mol. Its IUPAC name is 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol
• PubChem CID: 53323290
• Molecular Formula: C21H17ClN6O2
• Molecular Weight: 420.86 g/mol
• Exact Mass: 420.11
• IUPAC Name: 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol
• SMILES: OCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
• InChI: InChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28)
• InChIKey: GJPGNFNVUJLBQZ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 112.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.86
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?

The IUPAC name of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol (CID 53323290) is 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol.

What is the SMILES notation for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?

The canonical SMILES for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol is OCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12.

What is the InChIKey of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?

The InChIKey is GJPGNFNVUJLBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28).

What are the key properties of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?

3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol has a molecular weight of 420.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol is sourced from PubChem (CID 53323290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).