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

C30H27FN6O — CID 89442411

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

N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89442411) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89442411
• Molecular Formula: C30H27FN6O
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.22
• IUPAC Name: N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C30H27FN6O/c31-24-6-4-5-22(14-24)27-10-8-25(18-33-27)34-30(38)29-26-15-21(7-9-28(26)35-36-29)23-13-20(16-32-17-23)19-37-11-2-1-3-12-37/h4-10,13-18H,1-3,11-12,19H2,(H,34,38)(H,35,36)
• InChIKey: KHAFOOGUPVSXKF-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89442411) is N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

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

The InChIKey is KHAFOOGUPVSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c31-24-6-4-5-22(14-24)27-10-8-25(18-33-27)34-30(38)29-26-15-21(7-9-28(26)35-36-29)23-13-20(16-32-17-23)19-37-11-2-1-3-12-37/h4-10,13-18H,1-3,11-12,19H2,(H,34,38)(H,35,36).

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

N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89442411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).