VEPROHPMRRUHPY-KAPFHYJXSA-N

C₂₁H₃₀ClF₄N₃O₃ — CID 126721502

About VEPROHPMRRUHPY-KAPFHYJXSA-N

VEPROHPMRRUHPY-KAPFHYJXSA-N (PubChem CID 126721502) has the molecular formula C₂₁H₃₀ClF₄N₃O₃ and a molecular weight of 483.93 g/mol. Its IUPAC name is (2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-1,4-dimethylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: VEPROHPMRRUHPY-KAPFHYJXSA-N
• PubChem CID: 126721502
• Molecular Formula: C₂₁H₃₀ClF₄N₃O₃
• Molecular Weight: 483.93 g/mol
• Exact Mass: 483.19
• IUPAC Name: (2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-1,4-dimethylpyrrolidine-2-carboxamide;hydrochloride
• SMILES: COc1nc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1C[C@@H](C)CN1C.Cl
• InChI: InChI=1S/C21H29F4N3O3.ClH/c1-12-8-17(28(2)11-12)18(29)26-10-13-9-16(22)20(27-19(13)30-3)31-15-6-4-14(5-7-15)21(23,24)25;/h9,12,14-15,17H,4-8,10-11H2,1-3H3,(H,26,29);1H/t12-,14?,15?,17+;/m1./s1
• InChIKey: VEPROHPMRRUHPY-KAPFHYJXSA-N
• XLogP: 4.11
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.93
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of VEPROHPMRRUHPY-KAPFHYJXSA-N?

The IUPAC name of VEPROHPMRRUHPY-KAPFHYJXSA-N (CID 126721502) is (2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-1,4-dimethylpyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for VEPROHPMRRUHPY-KAPFHYJXSA-N?

The canonical SMILES for VEPROHPMRRUHPY-KAPFHYJXSA-N is COc1nc(OC2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1C[C@@H](C)CN1C.Cl.

What is the InChIKey of VEPROHPMRRUHPY-KAPFHYJXSA-N?

The InChIKey is VEPROHPMRRUHPY-KAPFHYJXSA-N. The full InChI is InChI=1S/C21H29F4N3O3.ClH/c1-12-8-17(28(2)11-12)18(29)26-10-13-9-16(22)20(27-19(13)30-3)31-15-6-4-14(5-7-15)21(23,24)25;/h9,12,14-15,17H,4-8,10-11H2,1-3H3,(H,26,29);1H/t12-,14?,15?,17+;/m1./s1.

What are the key properties of VEPROHPMRRUHPY-KAPFHYJXSA-N?

VEPROHPMRRUHPY-KAPFHYJXSA-N has a molecular weight of 483.93 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for VEPROHPMRRUHPY-KAPFHYJXSA-N is sourced from PubChem (CID 126721502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126721502 — identifiers, structure, computed properties (public domain)

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