OMGWZTHGMSEFCL-UHFFFAOYSA-N

C₁₆H₂₆ClF₃N₆O — CID 138484226

About OMGWZTHGMSEFCL-UHFFFAOYSA-N

OMGWZTHGMSEFCL-UHFFFAOYSA-N (PubChem CID 138484226) has the molecular formula C₁₆H₂₆ClF₃N₆O and a molecular weight of 410.87 g/mol. Its IUPAC name is 4-chloro-5-[1-[2-(trifluoromethyl)piperidin-3-yl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one.

Molecular Properties

• Compound Name: OMGWZTHGMSEFCL-UHFFFAOYSA-N
• PubChem CID: 138484226
• Molecular Formula: C₁₆H₂₆ClF₃N₆O
• Molecular Weight: 410.87 g/mol
• Exact Mass: 410.18
• IUPAC Name: 4-chloro-5-[1-[2-(trifluoromethyl)piperidin-3-yl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one
• SMILES: O=C1NNCC(N2CCC3C(C2)NCN3C2CCCNC2C(F)(F)F)C1Cl
• InChI: InChI=1S/C16H26ClF3N6O/c17-13-12(6-23-24-15(13)27)25-5-3-10-9(7-25)22-8-26(10)11-2-1-4-21-14(11)16(18,19)20/h9-14,21-23H,1-8H2,(H,24,27)
• InChIKey: OMGWZTHGMSEFCL-UHFFFAOYSA-N
• XLogP: -0.41
• TPSA: 71.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.87
LogP ≤ 5	-0.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of OMGWZTHGMSEFCL-UHFFFAOYSA-N?

The IUPAC name of OMGWZTHGMSEFCL-UHFFFAOYSA-N (CID 138484226) is 4-chloro-5-[1-[2-(trifluoromethyl)piperidin-3-yl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one.

What is the SMILES notation for OMGWZTHGMSEFCL-UHFFFAOYSA-N?

The canonical SMILES for OMGWZTHGMSEFCL-UHFFFAOYSA-N is O=C1NNCC(N2CCC3C(C2)NCN3C2CCCNC2C(F)(F)F)C1Cl.

What is the InChIKey of OMGWZTHGMSEFCL-UHFFFAOYSA-N?

The InChIKey is OMGWZTHGMSEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClF3N6O/c17-13-12(6-23-24-15(13)27)25-5-3-10-9(7-25)22-8-26(10)11-2-1-4-21-14(11)16(18,19)20/h9-14,21-23H,1-8H2,(H,24,27).

What are the key properties of OMGWZTHGMSEFCL-UHFFFAOYSA-N?

OMGWZTHGMSEFCL-UHFFFAOYSA-N has a molecular weight of 410.87 g/mol, XLogP of -0.41, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for OMGWZTHGMSEFCL-UHFFFAOYSA-N is sourced from PubChem (CID 138484226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138484226 — identifiers, structure, computed properties (public domain)

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