N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide

C29H34FN7O2 — CID 123169038

About N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide

N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide (PubChem CID 123169038) has the molecular formula C29H34FN7O2 and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide
• PubChem CID: 123169038
• Molecular Formula: C29H34FN7O2
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.28
• IUPAC Name: N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cnc(N2CCC(O)CC2)c(F)c1)c1n[nH]c2c1CC(c1cncc(CN3CCCCC3)c1)=CC2
• InChI: InChI=1S/C29H34FN7O2/c30-25-14-22(17-32-28(25)37-10-6-23(38)7-11-37)33-29(39)27-24-13-20(4-5-26(24)34-35-27)21-12-19(15-31-16-21)18-36-8-2-1-3-9-36/h4,12,14-17,23,38H,1-3,5-11,13,18H2,(H,33,39)(H,34,35)
• InChIKey: PFHWOZSDERVQBL-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 110.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide?

The IUPAC name of N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide (CID 123169038) is N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide?

The canonical SMILES for N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide is O=C(Nc1cnc(N2CCC(O)CC2)c(F)c1)c1n[nH]c2c1CC(c1cncc(CN3CCCCC3)c1)=CC2.

What is the InChIKey of N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide?

The InChIKey is PFHWOZSDERVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O2/c30-25-14-22(17-32-28(25)37-10-6-23(38)7-11-37)33-29(39)27-24-13-20(4-5-26(24)34-35-27)21-12-19(15-31-16-21)18-36-8-2-1-3-9-36/h4,12,14-17,23,38H,1-3,5-11,13,18H2,(H,33,39)(H,34,35).

What are the key properties of N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide?

N-[5-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide has a molecular weight of 531.64 g/mol, XLogP of 3.72, 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-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-4,7-dihydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 123169038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).