5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide

C23H26FN7O2 — CID 154636669

About 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide

5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide (PubChem CID 154636669) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide
• PubChem CID: 154636669
• Molecular Formula: C23H26FN7O2
• Molecular Weight: 451.51 g/mol
• Exact Mass: 451.21
• IUPAC Name: 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide
• SMILES: CC(C)OCCn1ncc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc21
• InChI: InChI=1S/C23H26FN7O2/c1-14(2)30-13-25-29-22(30)19-6-5-7-21(27-19)28-23(32)17-11-20-16(10-18(17)24)12-26-31(20)8-9-33-15(3)4/h5-7,10-15H,8-9H2,1-4H3,(H,27,28,32)
• InChIKey: GXDYDLITTFMTHF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.51
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide?

The IUPAC name of 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide (CID 154636669) is 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide.

What is the SMILES notation for 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide?

The canonical SMILES for 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide is CC(C)OCCn1ncc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc21.

What is the InChIKey of 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide?

The InChIKey is GXDYDLITTFMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-14(2)30-13-25-29-22(30)19-6-5-7-21(27-19)28-23(32)17-11-20-16(10-18(17)24)12-26-31(20)8-9-33-15(3)4/h5-7,10-15H,8-9H2,1-4H3,(H,27,28,32).

What are the key properties of 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide?

5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-(2-propan-2-yloxyethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indazole-6-carboxamide is sourced from PubChem (CID 154636669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).