N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H31FN8O — CID 89450975

About N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450975) has the molecular formula C28H31FN8O and a molecular weight of 514.61 g/mol. Its IUPAC name is N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450975
• Molecular Formula: C28H31FN8O
• Molecular Weight: 514.61 g/mol
• Exact Mass: 514.26
• IUPAC Name: N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cnc(N2CCNCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C28H31FN8O/c29-24-14-22(17-32-27(24)37-10-6-30-7-11-37)33-28(38)26-23-13-20(4-5-25(23)34-35-26)21-12-19(15-31-16-21)18-36-8-2-1-3-9-36/h4-5,12-17,30H,1-3,6-11,18H2,(H,33,38)(H,34,35)
• InChIKey: GAHONAKXUGOXRY-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 102.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.61
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450975) is N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnc(N2CCNCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is GAHONAKXUGOXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O/c29-24-14-22(17-32-27(24)37-10-6-30-7-11-37)33-28(38)26-23-13-20(4-5-25(23)34-35-26)21-12-19(15-31-16-21)18-36-8-2-1-3-9-36/h4-5,12-17,30H,1-3,6-11,18H2,(H,33,38)(H,34,35).

What are the key properties of N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 514.61 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).