5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide

C28H27F2N5O — CID 144929278

About 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide

5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 144929278) has the molecular formula C28H27F2N5O and a molecular weight of 487.55 g/mol. Its IUPAC name is 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 144929278
• Molecular Formula: C28H27F2N5O
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.22
• IUPAC Name: 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: C=C(C)c1c(F)cc(CN2CCCCC2)cc1-c1ccc2[nH]nc(C(=O)Nc3ccc(F)cn3)c2c1
• InChI: InChI=1S/C28H27F2N5O/c1-17(2)26-21(12-18(13-23(26)30)16-35-10-4-3-5-11-35)19-6-8-24-22(14-19)27(34-33-24)28(36)32-25-9-7-20(29)15-31-25/h6-9,12-15H,1,3-5,10-11,16H2,2H3,(H,33,34)(H,31,32,36)
• InChIKey: CDBGEABHYRXWPX-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide (CID 144929278) is 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide is C=C(C)c1c(F)cc(CN2CCCCC2)cc1-c1ccc2[nH]nc(C(=O)Nc3ccc(F)cn3)c2c1.

What is the InChIKey of 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is CDBGEABHYRXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O/c1-17(2)26-21(12-18(13-23(26)30)16-35-10-4-3-5-11-35)19-6-8-24-22(14-19)27(34-33-24)28(36)32-25-9-7-20(29)15-31-25/h6-9,12-15H,1,3-5,10-11,16H2,2H3,(H,33,34)(H,31,32,36).

What are the key properties of 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide?

5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-fluoro-5-(piperidin-1-ylmethyl)-2-prop-1-en-2-ylphenyl]-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 144929278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).