2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H27F2N7O2 — CID 71280174

About 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280174) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280174
• Molecular Formula: C23H27F2N7O2
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.22
• IUPAC Name: 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCCNC(=O)c1c[nH]c2ncc(-c3nn(CCCN(C)C)c4ccc(OC(F)F)cc34)nc12
• InChI: InChI=1S/C23H27F2N7O2/c1-4-8-26-22(33)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(34-23(24)25)6-7-18(15)32(30-19)10-5-9-31(2)3/h6-7,11-13,23H,4-5,8-10H2,1-3H3,(H,26,33)(H,27,28)
• InChIKey: KPWOKFGPDGQINC-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280174) is 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(-c3nn(CCCN(C)C)c4ccc(OC(F)F)cc34)nc12.

What is the InChIKey of 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is KPWOKFGPDGQINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-4-8-26-22(33)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(34-23(24)25)6-7-18(15)32(30-19)10-5-9-31(2)3/h6-7,11-13,23H,4-5,8-10H2,1-3H3,(H,26,33)(H,27,28).

What are the key properties of 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).