[1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol

C34H45FN4O3 — CID 172609773

About [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol

[1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 172609773) has the molecular formula C34H45FN4O3 and a molecular weight of 576.76 g/mol. Its IUPAC name is [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol
• PubChem CID: 172609773
• Molecular Formula: C34H45FN4O3
• Molecular Weight: 576.76 g/mol
• Exact Mass: 576.35
• IUPAC Name: [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol
• SMILES: CC1(C)CC(C=C(c2ccc(N3CCC(CO)CC3)nc2)c2ccc3c(c2)c(F)nn3C2CCOCC2)CC(C)(C)O1
• InChI: InChI=1S/C34H45FN4O3/c1-33(2)19-24(20-34(3,4)42-33)17-28(26-6-8-31(36-21-26)38-13-9-23(22-40)10-14-38)25-5-7-30-29(18-25)32(35)37-39(30)27-11-15-41-16-12-27/h5-8,17-18,21,23-24,27,40H,9-16,19-20,22H2,1-4H3
• InChIKey: SXTHJAYLCPMFHG-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 72.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.76
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol?

The IUPAC name of [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol (CID 172609773) is [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol.

What is the SMILES notation for [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol?

The canonical SMILES for [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol is CC1(C)CC(C=C(c2ccc(N3CCC(CO)CC3)nc2)c2ccc3c(c2)c(F)nn3C2CCOCC2)CC(C)(C)O1.

What is the InChIKey of [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol?

The InChIKey is SXTHJAYLCPMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45FN4O3/c1-33(2)19-24(20-34(3,4)42-33)17-28(26-6-8-31(36-21-26)38-13-9-23(22-40)10-14-38)25-5-7-30-29(18-25)32(35)37-39(30)27-11-15-41-16-12-27/h5-8,17-18,21,23-24,27,40H,9-16,19-20,22H2,1-4H3.

What are the key properties of [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol?

[1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 576.76 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[1-[3-fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 172609773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).