[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid

C32H30F4N4O4 — CID 175734972

About [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid

[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid (PubChem CID 175734972) has the molecular formula C32H30F4N4O4 and a molecular weight of 610.61 g/mol. Its IUPAC name is [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid
• PubChem CID: 175734972
• Molecular Formula: C32H30F4N4O4
• Molecular Weight: 610.61 g/mol
• Exact Mass: 610.22
• IUPAC Name: [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid
• SMILES: O=C(O)NC1(COc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1
• InChI: InChI=1S/C32H30F4N4O4/c33-29-23-16-21(9-11-25(23)40(39-29)27-8-4-5-15-43-27)28(24(17-32(34,35)36)20-6-2-1-3-7-20)22-10-12-26(37-18-22)44-19-31(13-14-31)38-30(41)42/h1-3,6-7,9-12,16,18,27,38H,4-5,8,13-15,17,19H2,(H,41,42)/b28-24-
• InChIKey: TZGTUJDSWOZYMO-COOPMVRXSA-N
• XLogP: 7.36
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.61
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid?

The IUPAC name of [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid (CID 175734972) is [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid.

What is the SMILES notation for [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid?

The canonical SMILES for [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid is O=C(O)NC1(COc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.

What is the InChIKey of [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid?

The InChIKey is TZGTUJDSWOZYMO-COOPMVRXSA-N. The full InChI is InChI=1S/C32H30F4N4O4/c33-29-23-16-21(9-11-25(23)40(39-29)27-8-4-5-15-43-27)28(24(17-32(34,35)36)20-6-2-1-3-7-20)22-10-12-26(37-18-22)44-19-31(13-14-31)38-30(41)42/h1-3,6-7,9-12,16,18,27,38H,4-5,8,13-15,17,19H2,(H,41,42)/b28-24-.

What are the key properties of [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid?

[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid has a molecular weight of 610.61 g/mol, XLogP of 7.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 175734972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).