ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C31H31FN6O2 — CID 144555272

About ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 144555272) has the molecular formula C31H31FN6O2 and a molecular weight of 538.63 g/mol. Its IUPAC name is ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 144555272
• Molecular Formula: C31H31FN6O2
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.25
• IUPAC Name: ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CC.O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12
• InChI: InChI=1S/C29H25FN6O2.C2H6/c30-21-5-8-24(9-6-21)38-27-11-7-22(17-32-27)33-29(37)28-25-15-19(4-10-26(25)34-35-28)20-14-23(18-31-16-20)36-12-2-1-3-13-36;1-2/h4-11,14-18H,1-3,12-13H2,(H,33,37)(H,34,35);1-2H3
• InChIKey: HNBURSFRRQUBLO-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 144555272) is ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CC.O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.

What is the InChIKey of ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is HNBURSFRRQUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2.C2H6/c30-21-5-8-24(9-6-21)38-27-11-7-22(17-32-27)33-29(37)28-25-15-19(4-10-26(25)34-35-28)20-14-23(18-31-16-20)36-12-2-1-3-13-36;1-2/h4-11,14-18H,1-3,12-13H2,(H,33,37)(H,34,35);1-2H3.

What are the key properties of ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 7.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).