N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide

C32H35F2N5O3 — CID 58513770

About N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide

N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide (PubChem CID 58513770) has the molecular formula C32H35F2N5O3 and a molecular weight of 575.66 g/mol. Its IUPAC name is N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide
• PubChem CID: 58513770
• Molecular Formula: C32H35F2N5O3
• Molecular Weight: 575.66 g/mol
• Exact Mass: 575.27
• IUPAC Name: N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)cc34)c(CC3CCOCC3)c2)CC1
• InChI: InChI=1S/C32H35F2N5O3/c1-38-10-12-39(13-11-38)25-3-5-27(22(18-25)16-21-8-14-41-15-9-21)32(40)35-31-28-19-26(4-7-30(28)36-37-31)42-20-23-17-24(33)2-6-29(23)34/h2-7,17-19,21H,8-16,20H2,1H3,(H2,35,36,37,40)
• InChIKey: RFKDSRYRXQLJDN-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 82.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.66
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide?

The IUPAC name of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide (CID 58513770) is N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide.

What is the SMILES notation for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide?

The canonical SMILES for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)cc34)c(CC3CCOCC3)c2)CC1.

What is the InChIKey of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide?

The InChIKey is RFKDSRYRXQLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5O3/c1-38-10-12-39(13-11-38)25-3-5-27(22(18-25)16-21-8-14-41-15-9-21)32(40)35-31-28-19-26(4-7-30(28)36-37-31)42-20-23-17-24(33)2-6-29(23)34/h2-7,17-19,21H,8-16,20H2,1H3,(H2,35,36,37,40).

What are the key properties of N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide?

N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide has a molecular weight of 575.66 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 58513770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).